data_2cpc_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 2cpc _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 ' 13' ' ' TRP . . . . . 0.571 ' CE3' HD13 ' A' ' 87' ' ' ILE . 68.3 m95 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.767 0.318 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.1 mt -74.45 94.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.4 p -74.05 -28.65 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -163.79 145.26 7.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.732 0.777 . . . . 0.0 110.898 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.0 Cg_endo -69.74 169.41 63.39 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.342 -0.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.4 t -104.57 64.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.11 -154.13 24.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -87.27 144.9 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.8 t -132.92 134.2 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -104.54 132.46 50.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.5 t -135.18 128.33 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.72 122.28 46.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.83 172.54 8.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -127.92 154.03 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -44.21 118.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.3 mt 65.76 38.63 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 26.2 tp10 -100.56 157.92 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -100.24 105.94 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.472 ' CG2' HD13 ' A' ' 72' ' ' LEU . 32.9 m -105.65 161.08 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.423 HG23 ' C ' ' A' ' 31' ' ' VAL . 94.2 t -141.77 106.59 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 mp -82.42 137.98 34.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.454 HG21 ' CE1' ' A' ' 16' ' ' TYR . 21.4 m -109.77 112.71 24.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -139.32 105.12 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -95.83 164.38 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.461 HD11 ' CG1' ' A' ' 44' ' ' VAL . 25.5 mt -135.63 159.32 41.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -86.42 10.07 16.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.501 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 61.6 mmt-85 -146.7 135.63 11.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HG2' ' CD1' ' A' ' 41' ' ' TRP . 53.8 Cg_endo -69.74 -49.66 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.501 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 1.5 p-90 -81.52 16.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.18 110.21 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -83.77 135.18 34.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 37' ' ' LEU . 15.6 m -116.92 166.01 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -146.36 126.27 13.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.438 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 61.4 m95 -90.49 133.98 34.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.6 p -123.47 132.4 53.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HD2' ' CZ ' ' A' ' 83' ' ' TYR . 14.9 tttm -113.85 106.41 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 66.96 45.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.62 -30.91 3.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' LYS . 4.1 mm-40 -84.49 161.88 20.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.72 135.91 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.0 m -67.09 140.34 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 p -117.85 131.23 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -46.65 146.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.436 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -169.14 167.63 5.52 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.709 0.766 . . . . 0.0 110.83 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.6 Cg_endo -69.76 4.03 2.43 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.38 -7.87 9.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.414 HD23 ' CD2' ' A' ' 61' ' ' LEU . 7.5 tt -140.32 108.19 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.3 mt -101.22 126.41 47.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.414 ' CD2' HD23 ' A' ' 59' ' ' LEU . 77.8 mt -95.48 110.72 22.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -93.46 143.81 25.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -136.0 119.73 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 4.4 tt0 -97.02 -175.07 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -49.93 -68.74 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 p -118.76 2.43 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -126.08 142.52 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.0 mmt-85 -110.37 156.06 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -149.17 147.47 28.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.1 tp -115.66 107.63 15.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.7 t -102.12 138.23 27.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.472 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -123.55 107.21 31.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.565 0.698 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -9.84 27.09 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.72 107.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -101.85 170.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -140.32 148.99 42.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.5 mt -48.69 -29.97 5.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -69.91 -36.74 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -57.72 -34.17 69.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.5 p -51.14 116.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.82 -124.71 0.76 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -131.33 104.52 7.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.377 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.47 ' CZ ' ' HD2' ' A' ' 48' ' ' LYS . 27.7 m-85 -89.01 109.37 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.62 111.9 23.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.438 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 42.4 t -89.22 107.14 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -102.38 137.89 40.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.571 HD13 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.82 -59.2 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -135.02 -72.42 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -120.06 -11.2 9.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' A' ' 90' ' ' GLU . 4.5 mp0 -111.76 168.88 9.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.9 p -147.18 146.73 29.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.436 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -103.53 133.04 49.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.2 t -86.14 123.13 31.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 92' ' ' ALA . 44.1 m-85 -131.93 99.86 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.1 m -83.35 119.22 24.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.8 t -125.1 92.99 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.6 m -91.38 122.43 33.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.2 t -106.29 133.35 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.3 p -128.3 174.79 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -74.73 134.18 75.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.662 0.744 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 168.67 20.89 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.262 . . . . 0.0 112.377 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.612 ' CD1' ' CB ' ' A' ' 88' ' ' ASP . 58.8 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.695 0.283 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.5 mt -71.8 97.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.3 p -73.91 -27.36 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -166.07 145.42 5.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.654 0.74 . . . . 0.0 110.966 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.4 Cg_endo -69.76 166.5 73.9 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.397 -0.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -104.99 64.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.0 -159.61 27.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -83.68 143.4 30.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -134.02 136.67 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -105.38 140.57 38.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -144.07 122.29 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.48 124.24 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.87 176.71 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.9 t -130.72 155.05 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -45.4 117.83 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt 65.61 39.28 5.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 32.9 tp10 -99.68 157.62 16.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.462 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -97.48 105.99 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.468 ' CG2' HD13 ' A' ' 72' ' ' LEU . 16.6 m -106.86 157.76 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.7 t -140.22 107.17 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.434 HD21 ' CZ3' ' A' ' 46' ' ' TRP . 4.2 mp -84.08 139.05 32.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.6 m -110.79 113.57 26.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.85 106.89 6.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -95.96 159.59 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.426 ' CD1' HG11 ' A' ' 44' ' ' VAL . 44.3 mt -129.69 161.49 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.453 ' O ' ' NH1' ' A' ' 39' ' ' ARG . 5.4 t -87.15 10.44 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.573 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 49.9 mmt-85 -148.45 140.26 14.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.718 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -51.72 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.281 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.573 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 5.5 p-90 -84.33 23.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.72 109.88 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -85.19 135.08 34.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.426 HG11 ' CD1' ' A' ' 37' ' ' LEU . 28.2 m -120.46 173.74 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -150.92 126.37 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.434 ' CZ3' HD21 ' A' ' 33' ' ' LEU . 56.8 m95 -90.39 142.46 27.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.7 p -135.16 127.21 29.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -100.79 100.54 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 64.73 37.01 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.64 -31.23 7.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -80.09 122.93 27.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -65.44 115.92 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.51 139.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' GLU . 14.4 p -118.9 128.55 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.3 mt-10 -38.44 147.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.435 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.23 167.59 4.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.435 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.4 Cg_endo -69.7 3.11 2.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.8 -7.36 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 61' ' ' LEU . 8.0 tt -140.44 105.17 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.1 mt -98.79 129.21 45.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.469 ' CD2' HD22 ' A' ' 59' ' ' LEU . 75.7 mt -100.05 110.46 22.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -92.32 147.36 22.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -139.22 120.46 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.468 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 4.0 tt0 -99.54 -174.73 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.06 -71.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 p -115.69 2.39 13.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.468 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -126.8 145.93 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -115.09 156.11 25.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -147.15 149.48 33.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 tp -118.98 102.29 8.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 77.9 t -99.03 138.65 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -122.5 110.99 31.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -11.23 30.41 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.96 110.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 m -103.9 169.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -139.71 145.6 38.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 mt -45.21 -34.66 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -38.18 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -54.91 -33.85 62.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.0 p -53.21 121.24 7.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -172.34 -119.84 0.54 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -133.59 100.42 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -84.51 105.83 15.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.14 120.06 41.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.4 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 42.4 t -97.91 107.52 20.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -99.43 136.81 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.542 ' CG1' ' N ' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -112.85 -76.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.612 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 3.4 t0 -113.06 -71.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.05 -16.6 6.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -106.48 169.75 8.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.9 p -144.97 149.35 35.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.82 134.54 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.9 t -90.31 126.52 35.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -134.69 99.9 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.7 m -81.64 120.97 25.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.14 93.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 m -92.68 118.05 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.7 t -102.41 143.99 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.9 p -136.69 174.82 10.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -75.39 135.35 72.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.629 0.728 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 164.66 33.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.516 ' CD2' HD13 ' A' ' 87' ' ' ILE . 73.0 m95 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.701 0.286 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.4 mt -64.86 92.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.84 -28.95 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.581 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -165.31 145.73 5.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 0.0 110.912 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.2 Cg_endo -69.81 164.33 79.65 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.317 -0.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -106.79 65.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.31 -152.63 24.74 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -83.72 146.86 27.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.5 t -134.9 124.11 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -100.89 137.62 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.9 t -144.04 127.89 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.91 129.6 53.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.69 176.62 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -132.65 156.13 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -44.4 117.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt 66.65 36.49 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 17.8 tp10 -95.49 158.65 15.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -100.44 99.06 9.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.459 ' CG2' HD13 ' A' ' 72' ' ' LEU . 22.5 m -99.36 159.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.409 ' CG1' ' HD2' ' A' ' 69' ' ' ARG . 99.2 t -140.48 108.38 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 mp -88.25 140.84 29.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.1 m -114.19 123.47 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.414 ' C ' HG21 ' A' ' 67' ' ' VAL . 2.6 t -142.74 112.07 6.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -96.12 158.8 15.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.1 mt -130.2 154.02 47.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -70.27 -18.15 63.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -133.51 145.42 56.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.646 0.736 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.465 ' HG2' ' CD1' ' A' ' 41' ' ' TRP . 54.4 Cg_endo -69.7 -51.32 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.382 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.465 ' CD1' ' HG2' ' A' ' 40' ' ' PRO . 2.0 p-90 -81.96 40.81 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.81 115.24 28.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -80.91 132.34 35.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.1 m -126.77 171.98 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -152.69 128.72 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.508 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 65.4 m95 -88.98 137.85 31.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.3 p -130.43 127.51 39.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -101.79 103.9 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 63.02 36.2 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.46 -33.01 6.15 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -77.03 148.75 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -89.31 110.42 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 46' ' ' TRP . 28.3 m -55.08 141.06 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.53 137.04 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -42.3 149.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.431 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -171.15 166.35 4.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.88 -179.781 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 53.4 Cg_endo -69.79 5.01 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.31 -10.91 7.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 61' ' ' LEU . 7.0 tt -135.04 101.55 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.9 mt -94.67 127.25 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.472 ' CD2' HD22 ' A' ' 59' ' ' LEU . 79.8 mt -98.51 112.54 24.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -96.57 161.87 13.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -150.0 113.28 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 1.8 tp10 -92.22 -179.98 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -40.74 -68.25 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.39 6.51 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -127.08 123.46 62.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.1 mmt-85 -86.82 147.69 25.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.409 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 24.4 mtm180 -135.48 145.74 47.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.7 tp -120.67 98.1 5.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.9 t -95.56 137.4 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.459 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -122.5 106.39 35.21 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.01 27.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.89 105.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.7 m -103.18 171.93 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -139.13 150.16 45.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.0 mt -50.63 -37.55 41.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -67.36 -36.32 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -56.98 -35.94 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.3 p -52.96 120.84 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.7 -123.58 0.7 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -127.82 101.36 6.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -84.35 102.87 13.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -102.58 115.58 30.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.508 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 43.4 t -97.2 107.62 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.9 139.7 35.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.516 HD13 ' CD2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -113.74 -57.07 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.483 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 3.6 t0 -134.98 -72.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -118.97 -25.62 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -100.18 169.2 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.9 p -145.31 147.0 31.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.68 125.39 50.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.8 t -85.88 130.03 34.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -134.86 101.37 4.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.8 m -79.96 119.97 23.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.1 t -124.39 92.72 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.4 m -89.32 121.8 31.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 44.4 t -105.88 148.34 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.5 p -139.96 -177.71 5.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -84.49 133.87 43.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.35 24.73 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.53 ' CE3' HD13 ' A' ' 87' ' ' ILE . 61.8 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.756 0.312 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.9 mt -69.05 101.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 16' ' ' TYR . 12.2 p -77.16 -27.12 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -164.38 146.67 7.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.709 0.766 . . . . 0.0 110.894 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.1 Cg_endo -69.72 168.44 67.3 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.351 -0.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -102.67 63.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.13 -153.36 24.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -86.81 147.2 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.3 t -133.44 126.59 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -98.42 133.59 42.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -136.07 137.95 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.97 131.8 56.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.416 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . . . -134.17 171.77 13.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.1 t -125.75 160.4 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -48.69 118.63 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 mt 68.78 34.4 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 10.9 tp10 -98.59 159.66 14.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.466 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.96 122.45 45.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.416 ' CG1' ' HB3' ' A' ' 25' ' ' ALA . 23.5 m -118.48 165.08 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.7 t -144.24 106.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.71 139.85 32.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.1 m -112.04 117.67 33.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -142.65 105.67 4.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -95.89 161.75 13.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' CD1' ' CG1' ' A' ' 44' ' ' VAL . 33.7 mt -132.03 155.76 47.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.6 p -81.59 9.24 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.423 ' CD ' ' CZ2' ' A' ' 41' ' ' TRP . 9.1 mmp_? -145.07 136.22 12.49 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.459 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.82 -50.17 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.423 ' CZ2' ' CD ' ' A' ' 39' ' ' ARG . 2.5 p-90 -82.31 19.07 1.27 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' HB2' ' CB ' ' A' ' 39' ' ' ARG . . . -84.38 119.57 25.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -90.25 145.5 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG1' ' CD1' ' A' ' 37' ' ' LEU . 11.2 m -126.02 166.69 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -149.44 126.03 10.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.479 ' CE2' ' SG ' ' A' ' 85' ' ' CYS . 53.5 m95 -90.94 133.22 35.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.5 p -120.32 132.84 55.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -112.69 102.06 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 72.28 40.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.99 -32.06 5.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -84.99 161.24 19.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.06 136.25 33.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.4 m -66.2 142.04 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.97 129.1 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -46.0 146.44 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.443 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -168.57 167.67 6.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.691 0.758 . . . . 0.0 110.838 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.6 Cg_endo -69.71 1.49 4.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.03 -12.27 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.444 ' CD2' HD22 ' A' ' 61' ' ' LEU . 8.0 tt -134.4 102.98 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.422 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 65.8 mt -96.5 125.89 41.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.444 HD22 ' CD2' ' A' ' 59' ' ' LEU . 81.9 mt -98.07 109.71 22.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' ARG . 58.4 mm-40 -92.98 146.81 23.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HG2' ' CZ ' ' A' ' 68' ' ' ARG . 20.6 mttt -135.82 112.68 10.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 4.1 tt0 -87.09 -175.02 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 1.1 p -120.24 3.04 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -126.91 143.73 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.471 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 5.2 mmm180 -105.19 156.07 18.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 62' ' ' GLN . 34.3 mtm180 -149.1 142.88 25.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.8 tp -117.77 110.56 17.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.415 ' C ' HD13 ' A' ' 72' ' ' LEU . 88.9 t -106.3 136.83 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.46 ' N ' HD13 ' A' ' 72' ' ' LEU . 7.3 mp -118.44 102.19 50.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.422 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 53.4 Cg_endo -69.78 -9.42 26.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.34 105.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -104.83 168.75 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -144.9 144.89 31.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.7 mt -44.01 -29.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.75 -38.7 73.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.81 -36.02 66.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.8 p -45.42 116.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -168.84 -139.14 2.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -119.89 102.02 8.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.895 0.379 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -85.27 109.53 18.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -110.17 113.94 27.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.479 ' SG ' ' CE2' ' A' ' 46' ' ' TRP . 6.2 t -88.04 107.4 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -101.91 134.16 45.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.53 HD13 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.64 -61.09 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.151 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.415 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 1.7 t70 -133.93 -71.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -119.29 -20.85 7.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -103.47 168.96 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.3 p -145.93 147.53 31.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.66 131.73 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 t -85.86 124.42 32.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -132.77 99.97 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.1 m -83.17 126.82 33.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.3 t -134.11 107.51 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.7 m -104.59 118.5 36.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 97.1 t -100.94 146.35 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.4 p -143.68 172.96 12.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.18 137.02 68.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.694 0.759 . . . . 0.0 110.815 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.91 36.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.358 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CE3' HD12 ' A' ' 87' ' ' ILE . 55.2 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.751 0.31 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.8 mt -73.03 97.96 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.43 HG12 ' CA ' ' A' ' 37' ' ' LEU . 14.1 p -74.15 -27.6 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -166.07 145.73 5.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.666 0.746 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.7 166.06 74.87 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.353 -0.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -104.89 65.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.01 -148.5 20.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -93.54 145.73 24.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.09 145.42 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -113.78 138.77 49.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 t -143.99 143.49 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.24 138.03 51.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB1' ' CG1' ' A' ' 31' ' ' VAL . . . -135.62 169.02 18.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -132.99 160.49 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -45.86 112.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt 67.41 43.54 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 11.6 tp10 -98.9 161.93 13.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -106.25 100.69 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG1' ' HB1' ' A' ' 25' ' ' ALA . 21.9 m -98.19 159.08 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.426 HG21 ' C ' ' A' ' 31' ' ' VAL . 89.3 t -141.21 105.35 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 mp -84.73 139.3 32.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.9 m -110.34 118.83 37.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.96 105.76 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -95.88 158.07 15.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.43 ' CA ' HG12 ' A' ' 15' ' ' VAL . 50.3 mt -127.87 158.85 36.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 t -83.06 6.45 18.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.546 ' HD3' ' CZ2' ' A' ' 41' ' ' TRP . 1.5 mmp_? -149.17 141.61 15.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.571 0.7 . . . . 0.0 110.875 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.546 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 2.4 p-90 -82.71 33.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -95.61 110.06 22.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.19 140.31 31.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.3 m -127.56 167.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -142.88 122.38 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 61.0 m95 -86.63 134.67 33.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.3 p -127.42 127.83 44.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -99.84 93.95 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t0 72.57 36.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.48 -31.78 7.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -80.05 142.64 34.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -81.79 116.32 21.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 m -59.6 133.94 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -110.88 132.16 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -42.88 148.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.443 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.93 167.77 3.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.78 2.99 3.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.95 -14.01 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.4 tt -134.64 100.48 4.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.427 ' CD1' ' HG3' ' A' ' 73' ' ' PRO . 57.8 mt -93.31 127.43 38.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 87.7 mt -97.12 112.05 24.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' ARG . 50.0 mm-40 -95.63 145.47 25.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.408 ' HG3' ' NH1' ' A' ' 68' ' ' ARG . 7.9 mptt -136.57 125.55 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 3.0 tp10 -100.49 -176.76 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.39 -63.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 p -124.76 -2.08 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.526 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -120.53 137.78 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' A' ' 63' ' ' LYS . 4.4 mmm180 -99.86 156.09 17.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' GLN . 20.5 mtm180 -147.51 143.87 28.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 tp -116.43 111.84 20.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.0 t -108.24 134.23 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.459 ' N ' HD11 ' A' ' 72' ' ' LEU . 7.0 mp -118.07 103.79 49.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HG3' ' CD1' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.78 -12.67 33.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.45 105.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.89 170.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -136.93 149.83 47.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.8 mt -52.17 -37.94 56.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.67 -37.1 85.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.03 -34.35 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.8 p -42.28 120.32 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.56 -136.1 2.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -124.73 127.01 46.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -103.21 105.7 16.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.69 111.12 23.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.528 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 42.3 t -94.24 106.83 18.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -104.22 136.55 43.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.572 HD12 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -106.14 -55.02 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -135.02 -72.55 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -119.6 -17.82 8.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -106.47 167.72 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.5 p -146.76 148.6 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.476 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -103.27 133.27 48.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.5 t -87.58 126.97 35.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CE2' ' HB1' ' A' ' 92' ' ' ALA . 56.7 m-85 -134.16 99.98 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.7 m -81.22 123.21 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.4 t -130.56 105.16 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 88.3 m -102.83 119.88 39.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 53.2 t -95.51 152.67 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.2 p -147.53 174.02 12.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -81.27 134.39 52.06 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.662 0.744 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 165.45 30.92 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.528 ' CE3' HD12 ' A' ' 87' ' ' ILE . 43.0 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.759 0.314 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mt -77.37 93.59 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.446 HG13 ' CA ' ' A' ' 37' ' ' LEU . 9.5 p -71.58 -19.73 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -173.23 145.37 1.23 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.691 0.758 . . . . 0.0 110.888 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.7 Cg_endo -69.76 169.6 62.57 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.305 -0.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.2 p -105.97 64.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.54 -140.19 9.39 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -100.88 143.48 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -133.75 127.58 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -97.68 139.77 33.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.4 t -141.07 137.47 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.54 140.15 45.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . . . -134.99 174.44 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -135.93 160.8 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -45.33 110.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 mt 68.38 44.38 1.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 4.3 tp10 -97.35 158.08 15.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 1.2 tmt_? -104.39 94.58 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 25' ' ' ALA . 21.1 m -91.98 161.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.415 HG21 ' C ' ' A' ' 31' ' ' VAL . 91.1 t -141.78 105.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.552 HD22 ' CZ3' ' A' ' 46' ' ' TRP . 5.0 mp -80.37 138.71 36.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -112.98 113.07 24.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 t -138.52 105.76 5.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -95.84 156.55 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.446 ' CA ' HG13 ' A' ' 15' ' ' VAL . 30.4 mt -127.84 164.14 22.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.3 p -88.28 10.58 19.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.581 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.4 mmt180 -150.81 138.68 12.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -50.02 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.752 2.301 . . . . 0.0 112.314 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.581 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.6 p-90 -83.18 29.44 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.24 109.76 20.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.052 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -82.54 133.61 35.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.3 m -122.18 169.09 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -146.22 126.31 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 61.2 m95 -90.49 135.29 33.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.7 p -122.01 127.35 50.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 53' ' ' VAL . 8.3 tmtt? -108.38 100.81 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.0 t70 71.27 35.8 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.83 -30.79 7.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -84.15 155.54 22.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -91.79 111.19 22.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 48' ' ' LYS . 17.9 m -51.25 137.99 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 p -113.43 134.81 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -44.09 147.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.444 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.48 167.99 4.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.71 0.767 . . . . 0.0 110.835 -179.752 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.444 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.5 Cg_endo -69.8 1.42 4.48 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.262 . . . . 0.0 112.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.68 -12.7 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.457 HD23 ' CD2' ' A' ' 61' ' ' LEU . 8.3 tt -135.02 103.66 5.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.0 mt -95.47 129.46 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.457 ' CD2' HD23 ' A' ' 59' ' ' LEU . 85.2 mt -102.38 108.03 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -92.12 146.78 23.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HG2' ' CZ ' ' A' ' 68' ' ' ARG . 27.7 mtmt -138.8 113.24 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 3.5 tp10 -87.52 -174.59 4.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -60.01 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.6 p -126.4 -1.26 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.523 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.5 p -121.96 139.24 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.468 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 4.7 mmm180 -105.69 156.22 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -149.83 141.0 23.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.0 tp -112.03 103.8 12.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.1 t -99.38 136.66 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -122.41 105.31 36.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -12.9 33.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.369 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.78 108.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -106.68 175.0 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -142.72 145.66 33.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.2 mt -47.42 -40.06 17.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -62.35 -39.53 93.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -55.98 -32.04 63.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.0 p -47.86 121.68 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -179.05 -127.13 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -125.88 139.01 53.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -119.54 105.14 10.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.57 112.12 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.575 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 51.8 t -94.03 107.05 19.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -101.39 137.08 40.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.528 HD12 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.12 -57.16 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -135.04 -72.95 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -120.25 -11.7 9.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -113.7 166.49 11.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.4 p -143.99 148.58 35.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.492 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -103.61 134.56 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 t -87.41 124.95 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 92' ' ' ALA . 60.3 m-85 -134.19 99.92 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.4 m -81.58 126.02 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.0 t -130.27 106.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 92.5 m -109.67 118.37 36.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 67.2 t -97.81 146.61 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.2 p -138.59 176.56 8.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -78.87 135.54 59.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 168.19 22.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.4 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.457 ' HB2' ' CG ' ' A' ' 90' ' ' GLU . 47.3 m95 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.712 0.291 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.464 ' CD1' ' C ' ' A' ' 91' ' ' SER . 26.4 mt -74.4 95.57 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.63 -32.33 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.583 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -158.7 146.03 13.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.684 0.754 . . . . 0.0 110.892 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.0 Cg_endo -69.78 170.48 58.34 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.325 -0.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -103.51 63.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.09 -140.07 9.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -99.12 145.38 27.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.0 t -134.22 122.09 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -94.18 132.95 38.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.6 t -135.4 127.7 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.7 135.6 44.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.436 ' HB1' ' CG1' ' A' ' 31' ' ' VAL . . . -134.61 173.55 11.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -129.08 155.92 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -44.89 117.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.6 mt 66.97 35.99 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 18.9 tp10 -95.52 158.97 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.45 102.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.436 ' CG1' ' HB1' ' A' ' 25' ' ' ALA . 33.4 m -104.34 163.11 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.462 ' CG1' ' HD2' ' A' ' 69' ' ' ARG . 83.6 t -141.72 110.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 mp -86.34 141.35 29.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.473 HG22 ' CE1' ' A' ' 16' ' ' TYR . 16.6 m -112.82 118.13 34.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.6 t -139.67 106.99 5.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -95.97 162.01 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.483 ' CD1' ' CG1' ' A' ' 44' ' ' VAL . 58.7 mt -133.84 155.4 49.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.6 p -80.64 4.13 19.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.567 ' HD3' ' CZ2' ' A' ' 41' ' ' TRP . 1.8 mmp_? -143.64 137.29 14.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.6 0.714 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.456 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.73 -48.86 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.567 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 3.3 p-90 -83.9 27.05 0.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.85 110.01 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -80.86 136.13 36.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.483 ' CG1' ' CD1' ' A' ' 37' ' ' LEU . 5.0 m -120.63 166.65 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.3 ttm-85 -147.87 126.94 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -90.44 138.71 31.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.5 p -133.15 132.99 42.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' GLU . 13.2 tttt -102.88 105.56 15.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.22 46.48 10.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.66 -33.07 4.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 48' ' ' LYS . 17.6 mt-10 -78.05 153.02 32.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -93.7 116.24 28.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.2 m -59.79 138.14 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -113.75 139.79 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -49.0 148.0 2.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.44 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.31 167.66 3.83 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.655 0.741 . . . . 0.0 110.85 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.44 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.77 3.51 2.74 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.03 -5.95 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.456 HD22 ' CD2' ' A' ' 61' ' ' LEU . 8.4 tt -141.94 105.14 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.6 mt -99.03 127.24 44.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.456 ' CD2' HD22 ' A' ' 59' ' ' LEU . 80.6 mt -96.55 110.92 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' ARG . 59.8 mm-40 -92.82 147.55 22.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -143.13 116.96 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -93.61 -174.59 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.8 -64.71 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.456 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 2.3 p -123.21 -7.67 8.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -114.82 132.18 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.3 mmt-85 -99.58 154.54 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.462 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 34.4 mtm180 -144.19 151.49 39.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 tp -121.02 103.39 9.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 78.6 t -101.13 137.14 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -120.46 108.94 37.07 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -11.97 31.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.67 107.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 m -103.74 169.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 79' ' ' ASP . 21.1 mm-40 -141.05 147.07 38.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.7 mt -44.6 -33.78 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -67.58 -36.82 81.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 76' ' ' GLN . 5.1 m-20 -55.55 -30.44 60.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.6 p -55.21 121.07 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.56 -123.17 0.78 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -131.88 116.11 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -101.51 108.42 19.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -106.31 120.38 41.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.9 t -100.21 107.17 18.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.72 140.1 34.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.433 HD11 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -111.97 -58.31 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -135.02 -73.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.39 -11.94 9.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 13' ' ' TRP . 2.9 pt-20 -115.76 168.21 10.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.464 ' C ' ' CD1' ' A' ' 14' ' ' ILE . 60.0 p -144.5 151.79 39.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.434 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . . . -103.3 137.15 41.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.06 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.2 t -89.69 122.95 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 92' ' ' ALA . 56.1 m-85 -133.4 99.86 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.2 m -82.33 125.42 30.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.7 t -125.67 97.57 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.9 m -97.34 114.52 26.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 40.9 t -100.52 147.19 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 p -140.16 177.7 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.11 136.92 53.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.3 50.2 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.533 ' CD2' HD11 ' A' ' 87' ' ' ILE . 59.9 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.728 0.299 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.0 mt -73.86 89.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 16' ' ' TYR . 5.5 p -68.68 -22.32 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.614 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -172.5 146.23 1.55 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.679 0.752 . . . . 0.0 110.975 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.7 Cg_endo -69.76 169.19 64.52 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.331 -0.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 m -104.44 64.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.64 -139.14 8.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -98.66 146.88 25.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.837 0.351 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.439 ' CG2' ' HG3' ' A' ' 17' ' ' PRO . 96.8 t -134.3 113.1 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.0 132.16 38.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.57 138.0 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.37 117.73 31.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.466 ' HB1' ' CG1' ' A' ' 31' ' ' VAL . . . -118.39 176.44 5.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 t -130.05 158.89 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -48.48 116.26 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt 69.41 37.1 2.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 18.1 tp10 -98.8 157.24 16.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 1.9 tmt_? -101.31 108.83 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG1' ' HB1' ' A' ' 25' ' ' ALA . 17.7 m -110.14 159.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.1 t -140.05 105.54 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.64 140.93 36.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 m -113.9 115.22 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 t -138.4 106.02 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -95.7 152.04 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 44.2 mt -119.99 171.38 8.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.402 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 27.2 p -94.81 14.25 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 27.8 mmm180 -151.37 147.99 21.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.459 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 53.7 Cg_endo -69.78 -51.72 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 -87.42 17.47 4.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 37' ' ' LEU . . . -72.11 109.7 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.411 ' C ' HG13 ' A' ' 44' ' ' VAL . 30.7 mm-40 -85.21 153.97 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG13 ' C ' ' A' ' 43' ' ' GLU . 23.6 m -139.36 170.29 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -144.04 125.79 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.474 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 48.4 m95 -92.62 134.4 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.6 p -127.77 139.96 52.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -110.17 94.29 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 t70 74.23 28.31 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.84 -33.1 6.75 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -78.9 151.67 31.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -91.66 120.63 32.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -63.35 141.88 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' GLU . 13.3 p -117.42 128.83 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.7 mt-10 -37.84 146.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.458 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.15 168.42 4.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.881 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.74 3.44 2.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.4 -3.13 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.8 tt -145.13 105.12 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.0 mt -98.06 133.3 42.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.7 mt -104.25 111.04 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -95.91 146.32 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -138.46 112.04 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 3.6 tt0 -86.64 -174.74 5.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -70.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 2.4 p -114.26 1.78 14.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.8 p -127.31 146.37 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.4 mmt-85 -111.62 155.8 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -147.24 150.27 34.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 tp -122.64 105.38 10.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.404 ' C ' HD13 ' A' ' 72' ' ' LEU . 75.5 t -98.85 141.45 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 71' ' ' VAL . 7.2 mp -124.24 106.47 30.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.587 0.708 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -13.63 34.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.36 107.56 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.02 163.0 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -136.0 146.29 47.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 mt -43.91 -37.77 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -62.26 -38.95 91.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.14 -29.94 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.4 p -54.44 114.75 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.96 -124.63 0.73 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -133.62 104.03 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -85.75 109.89 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.91 113.93 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.474 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 36.2 t -92.92 107.15 19.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -102.97 135.2 45.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.545 ' CG1' ' N ' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -105.28 -77.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.545 ' N ' ' CG1' ' A' ' 87' ' ' ILE . 1.5 t70 -116.37 -68.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -126.21 -0.16 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -118.0 169.06 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.6 p -147.36 145.11 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -106.32 135.55 47.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 t -88.64 124.49 34.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -134.81 99.75 4.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.5 m -84.99 125.62 32.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.1 t -128.73 92.4 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.6 m -88.18 126.91 35.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 75.9 t -108.67 136.0 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 p -127.6 171.45 11.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -74.42 130.04 82.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.672 0.749 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 168.78 20.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.743 2.295 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.372 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.471 ' CD1' ' CB ' ' A' ' 88' ' ' ASP . 31.7 m95 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.766 0.317 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.7 mt -68.5 91.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.441 HG12 ' CA ' ' A' ' 37' ' ' LEU . 7.1 p -72.06 -18.24 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.551 ' HA ' ' C ' ' A' ' 17' ' ' PRO . 1.1 t80 -173.85 144.46 1.04 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.667 0.746 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.74 166.2 74.61 Favored 'Cis proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.357 -0.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -100.61 63.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.39 -156.86 26.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -84.49 143.85 29.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.8 t -131.74 136.52 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -106.6 136.08 47.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.7 t -138.22 130.26 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.5 143.25 32.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . . . -142.89 176.6 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -134.61 158.12 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -43.88 116.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 mt 64.17 38.94 7.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 11.1 tp10 -93.51 162.23 14.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -105.23 95.79 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' A' ' 25' ' ' ALA . 17.2 m -96.23 157.77 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.6 t -140.09 110.58 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.88 149.38 24.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.0 m -124.8 122.63 37.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.6 t -142.75 109.9 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.429 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.5 tt0 -96.02 154.4 17.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 22.3 mt -124.34 154.48 40.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.3 p -70.65 -12.69 61.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -138.16 145.13 46.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.561 0.696 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.73 -45.97 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 -82.3 34.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB1' ' CD1' ' A' ' 37' ' ' LEU . . . -98.26 111.27 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -81.68 141.48 33.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.04 173.85 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -155.03 127.07 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.531 ' CE2' ' SG ' ' A' ' 85' ' ' CYS . 66.1 m95 -89.71 137.47 32.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.8 p -131.09 132.55 44.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' GLU . 13.4 tttt -104.34 105.46 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.6 t70 63.7 44.03 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.13 -31.25 5.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 48' ' ' LYS . 13.8 mt-10 -80.56 156.43 26.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -95.5 123.02 38.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.7 m -62.88 143.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 55' ' ' GLU . 13.8 p -118.91 125.78 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.9 mt-10 -35.69 143.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -166.73 168.1 7.38 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.647 0.737 . . . . 0.0 110.88 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.3 Cg_endo -69.81 2.65 3.37 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.236 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.51 -6.33 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.468 HD21 ' CD2' ' A' ' 61' ' ' LEU . 8.0 tt -140.85 104.98 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.9 mt -98.82 126.53 44.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.468 ' CD2' HD21 ' A' ' 59' ' ' LEU . 67.9 mt -97.07 114.41 26.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -98.79 160.87 13.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -150.34 111.91 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 4.3 tp10 -91.8 176.7 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' GLU . 7.8 m-20 -34.84 -73.03 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 0.8 OUTLIER -121.67 7.01 9.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -127.41 126.07 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 80.5 mmt-85 -92.81 150.17 20.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -139.82 148.37 42.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.446 HD12 ' CD1' ' A' ' 72' ' ' LEU . 4.1 tp -118.99 101.91 8.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 77.9 t -95.98 137.35 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.446 ' CD1' HD12 ' A' ' 70' ' ' LEU . 7.2 mp -121.95 105.77 37.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.595 0.712 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -12.54 33.12 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.33 105.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.19 171.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 79' ' ' ASP . 29.0 mm-40 -139.63 144.5 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -43.87 -31.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -33.38 59.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' GLN . 10.2 t0 -57.45 -26.96 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.426 ' HB3' ' CG2' ' A' ' 98' ' ' VAL . 54.2 p -65.61 120.97 13.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.31 -120.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -131.77 101.3 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -87.45 109.7 19.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -107.44 117.47 34.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.531 ' SG ' ' CE2' ' A' ' 46' ' ' TRP . 5.1 t -98.01 106.82 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -94.73 152.31 18.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.444 HD11 ' CE3' ' A' ' 13' ' ' TRP . 1.6 tt -126.39 -63.34 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.471 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 6.6 t0 -134.19 -72.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -16.31 8.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -108.83 167.68 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.0 p -141.46 146.23 36.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.77 127.04 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -86.77 126.69 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -134.53 99.87 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.3 m -80.3 128.76 33.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.65 101.5 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 96.5 m -97.93 124.32 42.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' A' ' 80' ' ' SER . 26.9 t -110.68 135.89 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.5 p -129.59 174.15 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -78.07 136.18 61.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 166.01 29.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.743 2.295 . . . . 0.0 112.306 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.532 ' CE3' HD13 ' A' ' 87' ' ' ILE . 56.5 m95 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.731 0.301 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.6 mt -67.52 94.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.91 -26.33 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -165.12 145.79 6.04 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.669 0.747 . . . . 0.0 110.95 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.6 Cg_endo -69.76 169.57 62.7 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 -0.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 t -106.53 64.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.56 -145.31 14.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -96.01 144.7 26.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -134.58 135.53 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -106.35 138.66 42.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.3 t -140.85 118.85 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.92 132.04 38.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB2' ' CG1' ' A' ' 31' ' ' VAL . . . -128.56 177.07 7.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.27 157.04 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -43.03 113.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt 66.14 45.15 2.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 3.9 tp10 -100.96 157.54 16.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.66 101.96 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 25' ' ' ALA . 29.4 m -100.11 161.17 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.2 t -140.56 105.08 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 mp -81.97 138.82 34.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.488 HG22 ' CE1' ' A' ' 16' ' ' TYR . 28.1 m -112.1 117.55 32.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -140.96 106.92 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -95.64 163.59 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD11 ' CG1' ' A' ' 44' ' ' VAL . 57.4 mt -134.92 159.39 41.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 t -86.36 9.25 18.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.55 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 47.3 mmt-85 -146.14 138.59 13.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 0.0 110.871 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 54.1 Cg_endo -69.66 -49.43 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.55 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.8 p-90 -86.69 31.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.76 114.92 27.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.67 139.73 30.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.408 ' CG1' HD11 ' A' ' 37' ' ' LEU . 16.3 m -124.3 171.95 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -146.14 125.06 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 60.8 m95 -88.98 133.46 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.2 p -122.55 126.76 48.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 53' ' ' VAL . 7.1 tmtt? -108.01 98.56 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 t0 74.95 25.03 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.49 -33.62 6.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 6.8 pt-20 -82.75 146.49 28.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.87 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -81.69 110.8 17.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 48' ' ' LYS . 32.2 m -51.62 134.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.3 p -110.59 135.25 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -42.07 150.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.407 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -172.1 166.14 3.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.676 0.751 . . . . 0.0 110.889 -179.787 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.76 4.69 2.05 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.722 2.281 . . . . 0.0 112.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.76 -11.31 7.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.446 HD22 ' CD2' ' A' ' 61' ' ' LEU . 8.1 tt -134.96 100.27 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.9 mt -91.88 129.55 37.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.446 ' CD2' HD22 ' A' ' 59' ' ' LEU . 86.2 mt -103.08 110.45 22.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -92.57 148.18 22.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -139.27 111.95 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 1.7 tp10 -86.29 -176.05 5.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -53.55 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.446 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 1.1 p -119.67 1.59 11.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.0 p -126.92 147.8 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.8 mmt-85 -111.14 156.4 21.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 mtm105 -149.15 144.94 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.429 HD13 ' CD1' ' A' ' 72' ' ' LEU . 7.3 tp -117.4 108.67 15.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.6 t -104.55 134.84 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.429 ' CD1' HD13 ' A' ' 70' ' ' LEU . 7.4 mp -120.68 104.97 41.62 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.648 0.737 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -10.84 29.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.99 106.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.71 173.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -139.8 146.07 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.2 mt -46.71 -28.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -77.99 -37.14 47.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.92 -32.53 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.3 p -59.22 119.46 7.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -168.4 -122.71 0.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -128.2 102.62 6.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -88.16 107.51 18.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -106.55 115.46 30.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.574 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 49.4 t -95.96 107.36 19.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -102.4 138.01 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.532 HD13 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.65 -56.62 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -135.01 -72.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -118.59 -23.93 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 1.2 pm0 -100.64 169.96 8.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 p -146.9 148.49 31.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.461 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -103.58 129.02 50.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -86.07 121.92 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' A' ' 92' ' ' ALA . 53.7 m-85 -130.38 100.38 5.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.0 m -80.93 127.29 32.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.23 96.68 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 97.6 m -98.77 114.37 26.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 37.0 t -103.26 141.79 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.8 p -133.08 177.54 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -77.09 134.21 68.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.653 0.739 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 162.66 41.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.9 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 88' ' ' ASP . 45.6 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.743 0.306 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.0 mt -72.51 95.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -73.67 -29.8 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -159.51 146.15 12.44 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.722 0.772 . . . . 0.0 110.884 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.4 Cg_endo -69.74 169.13 64.78 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.337 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.6 m -104.3 64.22 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.77 -138.05 7.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -100.62 146.11 27.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.426 ' CG2' ' HG3' ' A' ' 17' ' ' PRO . 87.8 t -133.69 113.0 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -94.48 130.53 40.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.22 138.03 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.8 118.93 35.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB2' ' CG1' ' A' ' 31' ' ' VAL . . . -119.39 176.18 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -131.86 157.38 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -46.38 115.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt 68.9 38.34 2.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 4.1 tp10 -99.25 157.77 16.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -102.35 105.64 16.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 25' ' ' ALA . 28.0 m -107.73 159.89 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.0 t -141.22 108.67 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 mp -82.48 144.56 30.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.412 HG23 ' CE1' ' A' ' 16' ' ' TYR . 7.2 m -117.2 119.36 34.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 t -142.46 106.51 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -95.76 158.72 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.2 mt -128.96 158.24 39.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.4 t -83.41 6.87 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.57 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 23.0 mmt180 -144.85 140.61 16.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.462 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.71 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.57 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.3 p-90 -83.34 31.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.6 110.44 21.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -88.24 128.8 35.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.1 m -111.36 167.92 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -146.96 124.87 11.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -89.56 135.3 33.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.6 p -130.28 132.51 45.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 51' ' ' GLU . 10.9 tttt -102.1 104.02 14.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.44 43.63 7.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.19 -32.25 5.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' LYS . 37.4 mm-40 -78.81 152.42 31.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.64 117.76 30.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.0 m -57.6 144.54 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -116.06 138.71 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.63 146.56 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.474 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -171.01 169.03 3.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.861 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.72 0.42 5.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.69 -14.03 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 61' ' ' LEU . 8.3 tt -134.99 101.9 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.5 mt -95.62 129.72 42.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 59' ' ' LEU . 79.4 mt -101.47 109.75 21.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -94.04 146.27 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -136.78 112.71 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 2.5 tp10 -87.77 -177.72 5.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -50.09 -67.41 0.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 1.2 p -117.89 1.61 12.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.509 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -126.48 147.43 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.3 mmt-85 -110.63 156.08 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -147.0 148.16 31.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 tp -121.56 102.18 8.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.2 t -98.29 141.59 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.433 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.0 mp -124.72 106.07 29.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -12.0 32.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.302 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.73 108.23 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -106.06 167.65 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -141.62 150.52 42.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.1 mt -44.6 -34.83 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.54 -37.57 82.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -28.19 54.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.6 p -58.88 126.85 29.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.84 -132.07 1.68 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -125.78 101.11 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -86.09 110.69 19.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -109.6 118.12 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.3 t -92.96 107.47 19.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -100.72 131.16 46.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.569 ' CG1' ' N ' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -106.87 -75.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.569 ' N ' ' CG1' ' A' ' 87' ' ' ILE . 2.5 t70 -116.03 -71.29 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.32 -17.64 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -105.19 168.75 8.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.0 p -144.82 149.98 36.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.467 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -104.73 135.62 45.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.6 t -88.91 119.28 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 92' ' ' ALA . 54.0 m-85 -130.02 99.7 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.0 m -82.49 124.72 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.0 t -125.02 100.42 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 90.1 m -98.96 117.48 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 65.7 t -105.73 138.14 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 32.9 p -132.92 179.56 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -79.86 135.5 55.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 167.97 22.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.236 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CE3' HD12 ' A' ' 87' ' ' ILE . 55.0 m95 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.719 0.295 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 mt -72.44 99.73 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.463 HG13 ' CA ' ' A' ' 37' ' ' LEU . 12.7 p -76.04 -24.93 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -168.32 145.65 3.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.675 0.75 . . . . 0.0 110.927 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.4 Cg_endo -69.78 165.2 77.32 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.332 -0.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.6 t -102.53 63.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.02 -148.48 20.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -93.18 148.89 21.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.2 t -135.11 141.35 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -110.19 138.38 46.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.42 122.5 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.35 123.67 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.13 175.89 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -131.28 163.7 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 -50.72 118.82 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt 65.36 38.67 5.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 9.3 tp10 -100.29 158.92 15.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -103.75 119.17 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.429 ' CG2' HD12 ' A' ' 72' ' ' LEU . 29.6 m -115.16 165.67 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.2 t -144.26 105.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -82.4 140.67 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.6 m -113.82 113.28 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.66 107.07 6.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -95.85 157.35 15.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' CA ' HG13 ' A' ' 15' ' ' VAL . 63.8 mt -129.01 156.73 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.1 p -85.08 10.32 12.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.521 ' CD ' ' CZ2' ' A' ' 41' ' ' TRP . 8.9 mmp_? -147.98 136.2 11.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -46.97 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.521 ' CZ2' ' CD ' ' A' ' 39' ' ' ARG . 2.0 p-90 -86.35 31.12 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.94 116.91 31.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -88.0 148.18 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 m -129.3 160.25 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.186 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -139.37 121.46 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.548 ' CE2' ' SG ' ' A' ' 85' ' ' CYS . 51.7 m95 -89.95 131.7 35.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.2 p -122.72 128.99 51.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -103.0 95.76 6.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.2 t70 71.13 38.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.52 -31.16 7.01 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.1 143.79 33.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.323 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -83.38 109.94 17.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 m -50.97 136.69 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 p -115.95 132.98 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -42.63 147.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.46 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -171.56 168.43 3.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.729 0.776 . . . . 0.0 110.829 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.46 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.1 Cg_endo -69.78 2.25 3.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.14 -12.71 9.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 61' ' ' LEU . 8.1 tt -135.55 105.05 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 64.4 mt -97.95 126.86 43.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 59' ' ' LEU . 79.6 mt -98.83 110.62 23.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' ARG . 63.0 mm-40 -93.01 147.31 22.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -139.47 120.15 14.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 2.3 tt0 -99.57 -174.35 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -49.57 -71.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.7 p -116.44 1.93 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.0 p -125.91 142.14 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.5 mmt-85 -111.14 156.24 21.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' GLN . 32.8 mtm180 -147.3 148.5 31.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.9 tp -121.56 108.83 14.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.5 t -104.06 137.35 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.444 ' N ' HD13 ' A' ' 72' ' ' LEU . 6.9 mp -118.5 102.31 50.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.649 0.737 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 53.2 Cg_endo -69.8 -9.12 25.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.52 105.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -102.18 171.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -139.06 144.07 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.7 mt -47.03 -36.94 8.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -67.66 -38.29 83.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.04 -37.11 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.7 p -46.46 114.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.55 -131.28 1.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -121.99 106.78 11.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -89.17 108.34 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -108.58 120.97 44.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.548 ' SG ' ' CE2' ' A' ' 46' ' ' TRP . 13.0 t -101.1 107.07 18.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -102.07 137.44 40.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.569 HD12 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.06 -55.98 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -134.98 -72.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -119.75 -16.17 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 1.3 pm0 -108.36 169.7 8.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.2 p -147.0 149.27 32.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -103.29 130.99 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.2 t -85.79 125.51 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.457 ' CE2' ' HB1' ' A' ' 92' ' ' ALA . 53.8 m-85 -133.98 100.52 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.3 m -81.5 121.0 25.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.9 t -128.36 99.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 96.1 m -103.2 117.66 35.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.6 t -98.94 148.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 45.2 p -139.91 178.6 7.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -81.87 135.14 48.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.662 0.744 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 165.26 31.51 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.343 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.5 ' CD2' HD11 ' A' ' 87' ' ' ILE . 20.7 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.761 0.315 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 mt -72.94 90.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG13 ' CA ' ' A' ' 37' ' ' LEU . 9.9 p -71.15 -20.1 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -171.01 145.76 1.98 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.702 0.763 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.3 Cg_endo -69.8 166.07 75.1 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.344 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -99.74 63.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.49 -151.04 22.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -88.45 146.96 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.81 135.41 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.46 140.2 38.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.01 129.57 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.9 125.95 51.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.423 ' HB2' ' CG1' ' A' ' 31' ' ' VAL . . . -126.06 177.0 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 t -132.72 154.66 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -43.42 118.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt 64.49 39.5 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 15.8 tp10 -98.72 159.73 14.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.468 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.07 104.25 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 72' ' ' LEU . 32.8 m -102.96 162.21 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.412 HG22 ' C ' ' A' ' 31' ' ' VAL . 93.4 t -142.52 106.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.8 mp -86.2 144.07 27.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.471 HG23 ' CE1' ' A' ' 16' ' ' TYR . 18.5 m -116.81 123.06 46.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.4 t -142.45 106.11 4.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.416 ' C ' HG13 ' A' ' 15' ' ' VAL . 9.7 tt0 -95.9 152.59 18.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.469 ' CA ' HG13 ' A' ' 15' ' ' VAL . 25.8 mt -125.11 156.28 38.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 t -70.92 -18.1 62.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -130.77 144.46 53.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.74 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -82.68 37.35 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.09 113.19 24.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -80.99 134.74 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG22 ' NH1' ' A' ' 68' ' ' ARG . 15.8 m -129.38 173.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.483 ' NE ' ' HB2' ' A' ' 52' ' ' GLU . 17.0 ttt180 -151.76 132.04 13.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.429 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 64.7 m95 -93.28 131.26 38.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.4 p -121.82 134.87 54.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -112.78 95.63 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 74.99 30.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.8 -33.67 6.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.49 151.75 30.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.483 ' HB2' ' NE ' ' A' ' 45' ' ' ARG . 62.7 tt0 -91.85 111.82 23.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.3 m -52.7 141.34 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.7 p -117.3 134.59 60.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -43.06 148.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.46 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -172.99 168.44 2.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.901 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.46 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.2 Cg_endo -69.69 2.67 3.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.65 2.234 . . . . 0.0 112.36 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.05 -13.8 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 61' ' ' LEU . 7.7 tt -135.07 103.85 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.3 mt -95.48 129.57 42.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 59' ' ' LEU . 84.2 mt -102.26 108.44 19.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' ARG . 91.0 mm-40 -93.68 154.02 18.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -140.4 116.32 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 5.4 tt0 -93.09 -177.86 4.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.58 -59.1 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -134.6 5.55 3.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.3 p -126.62 118.79 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.411 ' NH1' HG22 ' A' ' 44' ' ' VAL . 18.4 mmt85 -82.35 143.7 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 62' ' ' GLN . 38.1 mtm180 -131.17 141.16 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.4 tp -115.73 100.01 7.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 78.6 t -98.49 136.89 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -120.1 108.27 38.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -10.5 28.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.24 106.54 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.156 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 m -101.22 174.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -142.63 145.98 34.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -47.4 -36.47 9.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.4 -37.76 80.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -55.69 -33.45 64.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.9 p -56.4 114.8 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -163.16 -118.24 0.44 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -132.83 99.9 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -85.19 107.12 17.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -107.73 116.26 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.429 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 18.2 t -95.12 107.22 19.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -101.38 140.48 35.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.5 HD11 ' CD2' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -112.43 -60.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -134.96 -72.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -119.89 -9.38 9.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -112.43 168.02 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.5 p -147.19 142.92 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.72 128.07 51.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.8 t -85.95 125.3 33.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -131.56 99.97 4.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.3 m -80.43 124.45 28.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.2 t -128.49 92.49 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.5 m -91.05 122.79 34.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.07 143.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.3 p -133.29 173.51 11.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -75.38 132.84 75.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 162.91 40.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.242 . . . . 0.0 112.35 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.225 . . . . 0.0 112.335 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.564 ' CE3' HD13 ' A' ' 87' ' ' ILE . 56.5 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.691 0.281 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.418 ' CD1' ' C ' ' A' ' 91' ' ' SER . 15.5 mt -71.19 102.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.41 HG13 ' C ' ' A' ' 36' ' ' GLU . 11.1 p -79.34 -28.95 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -160.3 146.42 11.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.655 0.741 . . . . 0.0 110.963 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.9 Cg_endo -69.8 164.77 78.5 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.36 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -100.65 63.31 1.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.29 -153.27 25.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -91.0 143.63 26.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -130.73 129.02 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -100.04 135.29 41.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.1 t -139.78 132.13 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.27 127.4 54.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.446 ' HB1' ' CG1' ' A' ' 31' ' ' VAL . . . -123.86 176.99 5.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.18 158.03 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -42.71 111.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 mt 67.69 45.36 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 30.8 tp10 -100.37 160.18 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -102.26 101.56 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.446 ' CG1' ' HB1' ' A' ' 25' ' ' ALA . 19.2 m -100.0 157.76 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -139.94 105.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mp -89.68 131.92 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.2 m -107.54 119.41 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.402 ' C ' HG22 ' A' ' 67' ' ' VAL . 2.6 t -137.89 108.77 6.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.41 ' C ' HG13 ' A' ' 15' ' ' VAL . 9.9 tt0 -96.19 161.32 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.4 mt -134.05 154.29 51.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.0 p -79.22 2.98 19.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.552 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.3 mmt180 -142.34 138.0 16.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.464 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 54.0 Cg_endo -69.75 -50.43 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.296 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.552 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.6 p-90 -84.15 30.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.82 114.05 26.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -80.93 138.24 36.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.5 m -123.27 166.79 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.443 ' NH1' ' OE1' ' A' ' 52' ' ' GLU . 54.1 ttm-85 -150.48 126.65 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -92.65 141.77 28.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.3 p -136.08 130.63 33.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -106.43 100.53 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.2 t0 74.09 25.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.96 -33.87 6.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -80.97 147.0 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.443 ' OE1' ' NH1' ' A' ' 45' ' ' ARG . 8.6 tt0 -82.94 125.04 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 m -64.88 135.33 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.0 141.22 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -48.19 148.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.528 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 1.1 p -171.52 166.71 4.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.528 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 54.2 Cg_endo -69.78 4.31 2.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.627 2.218 . . . . 0.0 112.382 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.68 -4.11 8.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' A' ' 61' ' ' LEU . 8.1 tt -143.39 104.97 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 mt -99.79 126.3 45.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.46 ' CD2' HD21 ' A' ' 59' ' ' LEU . 76.5 mt -95.21 112.75 24.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -101.39 151.07 22.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -139.65 119.74 13.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 2.1 tp10 -94.23 179.44 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -38.82 -65.83 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.464 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 1.0 OUTLIER -127.96 4.69 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.514 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.2 p -125.25 123.65 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -86.96 148.76 25.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -138.19 142.34 40.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.411 ' CD1' HD11 ' A' ' 72' ' ' LEU . 5.8 tp -115.44 107.16 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.5 t -104.28 137.35 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 72' ' ' LEU . 7.0 mp -123.17 105.38 34.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -14.49 36.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.56 105.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -101.92 178.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -149.16 156.03 41.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.8 mt -53.79 -30.27 44.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -79.32 -25.03 42.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -78.31 5.54 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 t -95.98 154.51 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 154.66 -117.83 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -129.4 106.09 8.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -87.84 107.03 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -104.76 122.87 46.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 21.3 t -101.25 107.44 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -101.22 134.86 43.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.564 HD13 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.55 -58.63 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.532 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 5.6 t0 -135.01 -72.23 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -118.64 -24.13 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -101.94 169.55 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.418 ' C ' ' CD1' ' A' ' 14' ' ' ILE . 57.9 p -144.46 151.09 38.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.53 136.7 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 t -92.3 122.97 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -135.01 100.19 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.8 m -81.76 120.5 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.0 t -128.59 94.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 97.3 m -91.7 122.86 34.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 99' ' ' THR . 72.5 t -104.54 142.95 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.407 ' N ' HG13 ' A' ' 98' ' ' VAL . 34.9 p -141.11 173.66 11.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -76.25 134.47 70.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.74 40.92 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.522 ' CE3' HD12 ' A' ' 87' ' ' ILE . 61.8 m95 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.735 0.303 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.4 mt -66.44 94.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.419 HG12 ' C ' ' A' ' 36' ' ' GLU . 14.2 p -70.18 -33.53 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -156.67 145.98 15.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.897 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.0 Cg_endo -69.75 171.56 53.07 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.372 -0.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t -104.41 63.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.96 -151.35 22.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -89.57 145.84 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.7 t -134.13 139.62 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -107.81 139.22 42.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -142.08 131.26 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.2 138.68 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.468 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . . . -136.21 177.1 8.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 t -138.32 159.63 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.464 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 2.0 tpt180 -45.29 111.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt 68.01 44.68 1.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 23.6 tp10 -100.29 162.53 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.468 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 4.0 tmt_? -106.9 103.11 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 25' ' ' ALA . 34.2 m -101.07 162.21 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.3 t -141.08 105.44 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 mp -83.78 134.9 34.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.949 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.1 m -108.51 113.21 26.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 t -137.35 105.08 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.0 tt0 -95.74 161.1 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.2 mt -130.57 161.29 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 t -84.94 8.24 18.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.567 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 18.1 mmt180 -148.68 140.15 14.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.587 0.708 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.567 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.1 p-90 -83.51 26.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.18 110.62 21.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.062 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -80.76 143.43 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.3 m -126.17 163.3 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 -139.88 129.74 24.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.436 ' HB2' ' CG2' ' A' ' 53' ' ' VAL . 75.9 m95 -95.78 143.07 27.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.7 p -140.79 132.82 27.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 51' ' ' GLU . 24.5 tttm -106.82 108.4 19.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.6 t70 59.49 48.93 9.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 -29.69 4.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.441 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' LYS . 23.7 mt-10 -82.85 161.74 21.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -98.83 134.16 42.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.436 ' CG2' ' HB2' ' A' ' 46' ' ' TRP . 33.8 m -78.67 131.96 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -109.03 137.51 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -44.87 147.96 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.431 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.38 167.13 4.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.699 0.761 . . . . 0.0 110.835 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.431 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.4 Cg_endo -69.74 3.61 2.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.53 -11.81 8.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.427 HD22 ' CD2' ' A' ' 61' ' ' LEU . 8.1 tt -134.99 98.93 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 64.5 mt -93.17 126.56 38.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.427 ' CD2' HD22 ' A' ' 59' ' ' LEU . 82.0 mt -96.79 112.6 24.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 69' ' ' ARG . 69.1 mm-40 -98.38 148.28 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.51 125.66 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 5.2 tt0 -101.36 -174.91 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -48.85 -71.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 p -114.89 -0.33 13.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.509 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -125.03 143.94 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -107.06 156.12 19.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 62' ' ' GLN . 35.6 mtm180 -143.18 145.58 32.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 tp -119.46 99.61 6.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 77.8 t -95.9 137.98 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.446 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -122.62 104.23 36.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.43 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 54.2 Cg_endo -69.72 -11.8 31.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.34 107.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -105.5 172.02 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -142.56 144.26 32.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 ' HG ' ' CD ' ' A' ' 27' ' ' ARG . 48.3 mt -45.71 -35.32 4.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -67.13 -39.78 86.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.11 -34.5 66.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.9 p -49.67 124.68 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.53 -124.57 0.85 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -130.19 103.48 6.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -83.95 107.29 16.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.94 127.91 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.9 t -111.07 107.17 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.56 137.81 39.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.522 HD12 ' CE3' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -110.43 -55.43 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -134.96 -72.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -119.41 -24.47 6.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -101.46 169.02 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.7 p -145.04 148.77 34.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.37 135.98 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -93.69 128.11 39.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -134.8 99.87 4.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.4 m -80.37 124.82 29.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.9 t -130.7 96.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.3 m -93.41 116.15 28.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 99' ' ' THR . 48.9 t -99.65 139.07 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.418 ' N ' HG13 ' A' ' 98' ' ' VAL . 23.8 p -131.73 -178.79 5.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -86.21 137.1 35.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.7 65.44 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.402 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.274 . . . . 0.0 112.299 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.549 ' CE3' HD13 ' A' ' 87' ' ' ILE . 59.1 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.753 0.311 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.2 mt -74.28 101.99 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.37 -30.75 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -162.09 145.17 8.99 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.696 0.76 . . . . 0.0 110.896 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.6 Cg_endo -69.76 167.41 71.11 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.348 -0.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.9 p -112.47 66.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.41 -131.34 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -107.91 145.4 33.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.0 t -134.56 116.26 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -98.67 135.0 40.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -138.51 139.72 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.28 134.74 54.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HB1' ' CG1' ' A' ' 31' ' ' VAL . . . -134.68 173.24 11.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 t -129.35 160.61 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.4 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 7.1 tpt180 -47.31 119.29 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 mt 64.32 40.59 6.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 35.7 tp10 -102.44 159.65 15.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.462 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.38 119.14 38.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.447 ' CG2' HD13 ' A' ' 72' ' ' LEU . 22.4 m -115.93 165.75 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -144.04 105.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 mp -81.9 142.51 32.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 m -113.37 114.82 27.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -139.03 106.15 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -95.76 156.26 16.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.418 HD13 ' CG1' ' A' ' 44' ' ' VAL . 31.3 mt -128.4 159.51 35.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.76 13.04 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 22.4 mmt180 -150.04 138.56 12.44 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.566 0.698 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 41' ' ' TRP . 53.5 Cg_endo -69.8 -47.48 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.313 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.521 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.5 p-90 -88.43 33.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.61 110.33 21.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -83.25 129.82 35.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' CG1' HD13 ' A' ' 37' ' ' LEU . 14.7 m -116.78 164.21 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -144.6 123.4 12.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 85' ' ' CYS . 42.6 m95 -90.01 134.82 34.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.7 p -125.27 131.19 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -101.04 93.68 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 73.55 36.6 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.48 -29.37 9.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -80.96 143.98 32.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -83.96 112.47 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 m -52.55 145.8 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 55' ' ' GLU . 7.1 p -121.31 123.12 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.4 mt-10 -35.49 147.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.494 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -171.88 167.11 3.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.748 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.74 6.28 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.46 -13.97 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.48 HD22 ' CD2' ' A' ' 61' ' ' LEU . 7.2 tt -134.97 99.8 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.458 ' CD1' ' HG3' ' A' ' 73' ' ' PRO . 52.1 mt -93.5 125.86 38.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.48 ' CD2' HD22 ' A' ' 59' ' ' LEU . 59.3 mt -96.69 112.07 23.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.406 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 57.1 mm-40 -93.22 146.77 23.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HG3' ' C ' ' A' ' 62' ' ' GLN . 37.5 mttt -140.77 117.47 10.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 4.1 tt0 -96.82 -174.76 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -50.71 -71.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 p -115.15 2.78 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.6 p -127.21 142.29 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.461 ' N ' HG22 ' A' ' 67' ' ' VAL . 24.5 mmt85 -112.0 155.07 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -146.64 150.28 35.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 tp -121.14 106.11 11.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.415 ' C ' HD11 ' A' ' 72' ' ' LEU . 92.0 t -101.4 136.71 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.447 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.7 mp -119.7 102.03 47.69 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.603 0.716 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.458 ' HG3' ' CD1' ' A' ' 60' ' ' LEU . 53.6 Cg_endo -69.76 -8.69 24.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.37 105.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.1 m -102.71 178.33 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -147.54 150.52 34.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.4 ' HG ' ' CD ' ' A' ' 27' ' ' ARG . 61.0 mt -52.86 -34.87 56.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.12 -37.27 75.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.17 -35.4 67.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.4 p -47.44 117.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.39 -132.47 1.45 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.99 105.14 10.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -86.36 107.4 17.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -107.83 120.32 41.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 11.4 t -98.46 107.15 19.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -100.79 136.7 40.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.549 HD13 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -111.06 -57.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.47 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 7.7 t0 -135.0 -72.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -118.45 -24.48 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -102.75 170.35 8.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.2 p -146.03 151.47 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.417 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . . . -103.51 129.66 50.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.2 t -85.78 124.7 32.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 92' ' ' ALA . 44.5 m-85 -134.1 99.91 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.24 25.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.0 t -126.73 105.32 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 80.9 m -104.97 124.45 49.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 57.5 t -106.25 149.71 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.1 p -143.31 179.97 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -83.55 136.21 42.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 162.75 40.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.382 179.888 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 88' ' ' ASP . 39.4 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.722 0.296 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.469 HD11 ' CB ' ' A' ' 90' ' ' GLU . 12.3 mt -74.69 90.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.445 HG11 ' CA ' ' A' ' 37' ' ' LEU . 10.8 p -68.43 -21.48 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.557 ' CG ' ' HA ' ' A' ' 17' ' ' PRO . 1.3 t80 -174.31 145.0 0.99 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.675 0.75 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.557 ' HA ' ' CG ' ' A' ' 16' ' ' TYR . 54.0 Cg_endo -69.81 163.95 80.64 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.353 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -109.74 66.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.52 172.62 14.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 130.05 23.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.356 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 22' ' ' TYR . 89.4 t -111.66 139.48 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.477 ' N ' HG13 ' A' ' 21' ' ' VAL . 12.8 m-85 -121.51 134.2 55.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -145.38 141.52 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.63 142.27 46.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.83 176.8 8.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -133.07 160.6 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -48.33 114.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 mt 69.84 43.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 5.3 tp10 -103.25 162.03 13.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.469 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.42 110.11 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.433 ' CG2' HD11 ' A' ' 72' ' ' LEU . 34.4 m -108.79 162.85 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.425 HG21 ' C ' ' A' ' 31' ' ' VAL . 90.2 t -142.3 105.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.474 ' HG ' ' CD2' ' A' ' 94' ' ' PHE . 4.3 mp -83.18 132.93 35.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.3 m -106.84 113.62 27.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.38 105.23 6.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.421 ' C ' HG11 ' A' ' 15' ' ' VAL . 12.6 tt0 -95.83 152.67 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.445 ' CA ' HG11 ' A' ' 15' ' ' VAL . 50.2 mt -125.65 154.2 42.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 p -81.71 5.8 17.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.548 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 11.1 mmt180 -142.76 137.83 15.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.853 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.68 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.548 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.8 p-90 -83.41 21.39 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.81 112.91 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -86.07 140.38 30.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.408 ' CG1' HD12 ' A' ' 37' ' ' LEU . 16.4 m -127.27 165.24 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -147.38 125.8 12.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.55 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 52.1 m95 -87.89 133.47 33.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.3 p -122.37 131.36 53.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.516 ' HD2' ' CZ ' ' A' ' 83' ' ' TYR . 14.5 tttt -106.26 97.31 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 71.68 34.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.93 -27.25 17.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -83.41 151.66 25.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -87.45 115.91 25.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -45.01 149.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 9.8 p -125.57 113.19 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' VAL . 6.0 mt-10 -33.77 147.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.461 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -170.29 168.46 4.22 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.664 0.745 . . . . 0.0 110.865 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.1 Cg_endo -69.79 1.28 4.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.82 -10.1 10.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.444 HD22 ' CD2' ' A' ' 61' ' ' LEU . 6.8 tt -138.44 111.29 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.6 mt -105.1 125.76 51.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.444 ' CD2' HD22 ' A' ' 59' ' ' LEU . 62.4 mt -96.01 111.19 23.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' ARG . 75.7 mm-40 -94.97 150.93 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.408 ' HG3' ' C ' ' A' ' 62' ' ' GLN . 46.9 mttt -144.79 117.25 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -96.49 -174.37 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -48.41 -71.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 p -116.94 3.74 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.8 p -126.98 133.62 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.422 ' N ' HG23 ' A' ' 67' ' ' VAL . 65.0 mmt-85 -106.66 151.21 25.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 62' ' ' GLN . 58.4 mtm180 -144.21 150.89 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.2 tp -121.03 101.67 7.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.411 ' C ' HD12 ' A' ' 72' ' ' LEU . 92.6 t -95.86 143.92 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.433 HD11 ' CG2' ' A' ' 31' ' ' VAL . 7.1 mp -126.18 107.43 24.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.17 34.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -164.66 107.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -102.66 175.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -144.53 150.98 38.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.57 -33.48 46.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -35.3 75.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.82 -34.67 74.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -50.37 118.8 3.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.69 -124.24 0.7 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -131.67 100.0 4.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.516 ' CZ ' ' HD2' ' A' ' 48' ' ' LYS . 16.0 m-85 -83.93 111.16 19.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -110.45 110.02 20.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.55 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 35.0 t -88.51 106.16 18.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.74 155.43 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.554 HD13 ' CE3' ' A' ' 13' ' ' TRP . 0.5 OUTLIER -130.19 -74.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.567 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 3.7 t70 -123.68 -71.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -121.73 -10.48 8.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.469 ' CB ' HD11 ' A' ' 14' ' ' ILE . 70.1 mt-10 -107.53 169.52 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 p -147.16 137.97 23.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.47 122.97 46.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 t -85.77 131.37 34.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.474 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 20.1 m-85 -135.01 99.58 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.6 m -80.04 103.48 9.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.08 98.54 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.5 m -95.58 135.83 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 19.1 t -117.33 135.62 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.6 p -125.54 -179.72 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -85.85 136.48 36.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 155.77 65.14 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.713 2.275 . . . . 0.0 112.338 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.524 ' CE3' HD11 ' A' ' 87' ' ' ILE . 37.3 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.804 0.335 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.9 mt -76.06 102.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.427 HG12 ' CA ' ' A' ' 37' ' ' LEU . 12.0 p -80.0 -22.57 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.553 ' HA ' ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -168.6 144.19 2.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.73 165.55 76.26 Favored 'Cis proline' 0 C--O 1.231 0.144 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.322 -0.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -99.29 62.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.54 -150.83 22.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -89.63 148.44 23.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 22' ' ' TYR . 69.7 t -135.12 148.25 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.453 ' N ' HG12 ' A' ' 21' ' ' VAL . 3.3 m-85 -115.3 138.69 50.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.409 HG21 ' C ' ' A' ' 22' ' ' TYR . 23.0 t -143.18 128.13 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.93 145.25 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HB1' ' CG1' ' A' ' 31' ' ' VAL . . . -145.25 176.26 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.2 t -136.08 160.63 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 ttp85 -45.39 111.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt 68.72 44.18 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 9.5 tp10 -99.33 162.17 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.472 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -105.21 104.49 14.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.467 ' CG1' ' HB1' ' A' ' 25' ' ' ALA . 19.3 m -105.57 159.07 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.3 t -141.76 105.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mp -84.54 140.67 31.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.0 m -113.32 119.42 37.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.41 ' C ' HG22 ' A' ' 67' ' ' VAL . 3.5 t -138.25 106.82 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.425 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.8 tt0 -95.93 154.89 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.427 ' CA ' HG12 ' A' ' 15' ' ' VAL . 32.8 mt -129.43 155.01 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.9 p -78.97 2.54 19.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.556 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 39.3 mmt-85 -139.5 136.49 17.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 53.5 Cg_endo -69.78 -51.09 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.363 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.556 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.3 p-90 -84.16 29.25 0.57 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.404 ' HB2' ' CB ' ' A' ' 39' ' ' ARG . . . -88.91 109.91 20.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.16 136.31 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.1 m -123.77 175.62 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -154.25 125.32 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.477 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 60.2 m95 -86.3 134.06 33.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.8 p -129.0 128.51 43.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 51' ' ' GLU . 17.0 tttm -101.52 100.78 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 64.35 43.46 4.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.6 -33.0 4.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.444 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 48' ' ' LYS . 19.8 mt-10 -78.38 149.04 33.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.72 128.61 36.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.03 140.6 18.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -118.98 128.68 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -39.94 145.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.443 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -167.67 168.01 6.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.701 0.762 . . . . 0.0 110.867 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.0 Cg_endo -69.78 3.3 2.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.722 2.281 . . . . 0.0 112.291 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.46 -3.26 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.2 tt -143.73 105.02 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -98.89 130.13 45.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.1 mt -99.69 111.69 24.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' ARG . 64.2 mm-40 -93.35 148.48 22.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.78 120.29 12.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.466 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 1.1 tp10 -98.85 -176.43 3.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -43.85 -71.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.471 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 0.8 OUTLIER -120.29 6.19 10.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.7 p -127.34 131.55 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -95.47 153.97 17.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 62' ' ' GLN . 26.9 mtt180 -143.43 147.44 34.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.9 tp -119.88 107.51 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 52.9 t -104.65 136.0 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.45 HD12 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -121.0 107.29 37.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.591 0.71 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -15.11 37.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.372 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.23 106.74 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -104.88 159.87 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -132.42 149.89 52.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.3 mt -49.21 -28.19 4.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -68.26 -34.58 76.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -36.78 77.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.9 p -43.32 115.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.07 -127.53 0.99 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -133.22 104.9 6.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -84.73 109.65 18.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.42 113.54 26.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.477 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 44.1 t -94.37 106.89 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -96.01 149.57 21.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.524 HD11 ' CE3' ' A' ' 13' ' ' TRP . 0.7 OUTLIER -123.92 -70.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.449 ' CB ' ' NE1' ' A' ' 13' ' ' TRP . 4.7 t0 -124.61 -72.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -121.63 -15.11 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -106.01 174.37 5.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.4 p -147.72 146.66 29.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.71 128.5 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.2 t -87.4 130.9 34.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -139.93 104.97 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.2 m -86.34 120.28 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 68.3 t -125.84 105.07 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 83.1 m -102.92 119.55 39.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.5 t -102.03 145.91 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.7 p -136.78 -176.84 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -90.16 134.98 30.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.74 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 161.46 45.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.365 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.57 ' CD1' ' HB3' ' A' ' 88' ' ' ASP . 71.5 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.716 0.293 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.65 94.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.53 -29.09 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -161.26 145.87 10.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.2 Cg_endo -69.68 172.38 48.97 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.385 -0.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p -106.65 64.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.62 -145.4 15.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -96.8 145.59 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.6 t -134.04 133.97 55.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -103.5 139.49 38.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.3 t -142.51 132.42 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.51 133.88 50.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . . . -129.66 176.57 7.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -136.92 158.15 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -43.78 112.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt 65.74 46.01 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 17.8 tp10 -101.36 160.03 14.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.462 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.88 101.84 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 25' ' ' ALA . 17.5 m -100.16 159.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.419 HG23 ' C ' ' A' ' 31' ' ' VAL . 97.4 t -142.05 106.94 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 HD21 ' CZ3' ' A' ' 46' ' ' TRP . 5.1 mp -85.36 137.9 32.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.418 HG22 ' CE1' ' A' ' 16' ' ' TYR . 6.5 m -110.2 114.41 27.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -138.39 108.79 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -95.61 165.62 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.435 HD13 ' CG1' ' A' ' 44' ' ' VAL . 43.6 mt -136.57 160.76 37.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.3 p -87.68 8.19 26.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.574 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.1 mmt180 -146.51 139.73 14.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 0.0 110.844 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -50.46 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.319 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.574 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.2 p-90 -84.1 29.15 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.02 109.77 21.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -85.19 144.87 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.435 ' CG1' HD13 ' A' ' 37' ' ' LEU . 21.5 m -121.2 165.09 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -139.91 118.92 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.504 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 59.8 m95 -89.81 132.28 35.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.9 p -125.93 131.43 52.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -102.87 93.59 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 74.92 25.07 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.21 -33.55 6.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.08 141.96 36.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -79.51 121.79 25.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 m -63.51 135.72 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.88 140.76 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -51.09 148.2 4.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.433 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.4 167.49 3.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.863 -179.764 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.5 Cg_endo -69.76 4.5 2.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.47 -6.44 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.473 HD23 ' CD2' ' A' ' 61' ' ' LEU . 7.8 tt -141.92 105.0 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 69.6 mt -97.85 127.87 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' CD2' HD23 ' A' ' 59' ' ' LEU . 78.7 mt -99.91 110.45 22.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -91.87 147.83 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -139.51 115.95 10.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.958 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 4.7 tt0 -93.02 -175.41 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.52 -66.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 p -119.55 -0.78 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.4 p -123.53 145.52 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.1 mmt-85 -112.54 156.09 23.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -147.4 147.12 29.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.422 HD11 ' CD1' ' A' ' 72' ' ' LEU . 5.8 tp -116.6 106.36 13.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.1 t -102.85 134.03 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.422 ' CD1' HD11 ' A' ' 70' ' ' LEU . 7.2 mp -118.78 107.62 42.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -14.74 36.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.358 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.01 106.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.96 169.8 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -137.44 142.78 41.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.1 mt -44.81 -38.38 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -36.2 83.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -56.25 -36.11 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.7 p -44.88 114.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.12 -139.48 2.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -116.26 101.19 8.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -83.92 103.25 13.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.87 125.42 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.504 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 43.8 t -101.85 107.43 18.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -102.37 129.96 48.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.552 HD13 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -105.64 -67.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.57 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 1.9 t70 -122.74 -71.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -122.21 -22.06 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -100.26 168.47 9.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.7 p -145.79 146.9 31.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -104.32 133.14 49.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -89.59 125.23 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -133.77 99.99 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.7 m -80.28 122.94 27.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 82.7 t -127.04 95.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.7 m -93.93 116.14 28.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.425 HG11 ' N ' ' A' ' 99' ' ' THR . 58.8 t -101.33 137.82 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.425 ' N ' HG11 ' A' ' 98' ' ' VAL . 22.5 p -132.83 178.14 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -80.58 137.38 51.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.63 30.31 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.369 179.945 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.564 ' CE3' HD13 ' A' ' 87' ' ' ILE . 61.8 m95 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.757 0.313 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.1 mt -71.41 92.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.417 HG13 ' C ' ' A' ' 36' ' ' GLU . 9.7 p -69.41 -28.9 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -164.4 145.65 6.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.752 0.787 . . . . 0.0 110.886 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.76 165.51 76.44 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.34 -0.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -109.92 66.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.37 -151.56 23.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -87.46 145.8 26.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.6 t -135.04 123.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -101.52 137.7 39.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.8 t -142.39 128.15 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.32 123.83 50.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.424 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . . . -122.96 172.78 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.433 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 1.5 t -124.41 158.6 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -45.17 121.59 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt 62.59 35.46 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 11.1 tp10 -96.66 155.92 16.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -100.73 121.44 41.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.469 ' CG2' HD13 ' A' ' 72' ' ' LEU . 27.1 m -118.01 165.19 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -144.46 106.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.403 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.4 mp -83.85 140.54 31.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.0 m -112.49 118.28 34.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.5 t -140.25 105.95 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' C ' HG13 ' A' ' 15' ' ' VAL . 19.1 tt0 -95.87 160.9 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.441 HD12 ' CG1' ' A' ' 44' ' ' VAL . 33.6 mt -132.13 155.58 47.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.1 t -80.61 4.73 17.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.525 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 26.9 mmt180 -144.51 138.9 15.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.452 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.74 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.525 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.0 p-90 -84.77 30.94 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -95.29 110.8 22.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.065 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HA ' ' NH2' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -83.36 145.87 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.441 ' CG1' HD12 ' A' ' 37' ' ' LEU . 16.9 m -130.24 164.65 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -142.88 123.96 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 55.0 m95 -88.58 130.34 35.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.2 p -122.86 128.01 49.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -102.22 93.53 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 71.53 38.7 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.64 -32.79 5.97 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.436 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -79.29 145.98 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -86.08 118.65 25.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.4 m -56.2 139.28 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.75 126.35 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -38.6 147.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.443 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.31 167.77 4.52 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.655 0.741 . . . . 0.0 110.882 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.9 Cg_endo -69.73 2.38 3.56 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.73 2.287 . . . . 0.0 112.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.09 -8.97 9.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.462 HD22 ' CD2' ' A' ' 61' ' ' LEU . 8.0 tt -138.82 106.34 5.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.6 mt -98.28 128.51 44.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.462 ' CD2' HD22 ' A' ' 59' ' ' LEU . 67.8 mt -99.6 108.86 21.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -91.9 146.25 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -137.22 119.67 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 4.3 tt0 -96.75 -175.61 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.34 -65.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 1.3 p -122.62 0.19 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.4 p -123.12 140.97 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.432 ' NH1' HG23 ' A' ' 44' ' ' VAL . 17.7 mmt85 -107.13 154.88 20.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -146.9 146.66 30.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 tp -118.71 111.95 19.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.7 t -108.29 134.77 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.469 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.1 mp -117.83 104.49 48.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -11.28 30.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.726 2.284 . . . . 0.0 112.35 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.15 105.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.1 m -100.58 177.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -146.86 145.52 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.7 mt -48.76 -31.85 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -69.82 -38.39 76.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -55.27 -35.81 65.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.6 p -44.96 115.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.46 -128.14 0.96 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -130.96 103.08 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.392 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -83.9 108.08 16.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -108.3 115.06 29.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.565 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 42.7 t -95.93 107.2 19.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -102.17 141.13 35.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.564 HD13 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -112.07 -57.99 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -134.98 -72.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -119.39 -16.36 8.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.517 ' CD ' ' N ' ' A' ' 90' ' ' GLU . 4.0 mp0 -106.27 168.13 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.1 p -147.19 144.9 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.42 127.05 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.1 t -85.6 128.5 34.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -133.9 100.08 4.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.7 m -79.74 118.08 21.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.5 t -126.41 101.22 7.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 63.7 m -102.87 119.65 39.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.7 t -97.78 150.38 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -141.67 178.79 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -85.29 133.25 42.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.59 18.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p 46.04 42.17 9.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -116.38 146.04 42.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.95 -158.27 0.14 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -157.9 111.24 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 110.874 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -136.42 173.73 11.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.64 145.92 9.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -173.57 159.39 3.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -63.02 88.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.0 p -125.53 139.01 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -99.28 -61.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 p -128.61 108.02 10.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.571 ' CE3' HD13 ' A' ' 87' ' ' ILE . 68.3 m95 -58.54 -47.33 84.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.1 mt -74.45 94.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.4 p -74.05 -28.65 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -163.79 145.26 7.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.732 0.777 . . . . 0.0 110.898 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.0 Cg_endo -69.74 169.41 63.39 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.342 -0.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.4 t -104.57 64.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.11 -154.13 24.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -87.27 144.9 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.8 t -132.92 134.2 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -104.54 132.46 50.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.5 t -135.18 128.33 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.72 122.28 46.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.83 172.54 8.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -127.92 154.03 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -44.21 118.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.3 mt 65.76 38.63 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 26.2 tp10 -100.56 157.92 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -100.24 105.94 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.472 ' CG2' HD13 ' A' ' 72' ' ' LEU . 32.9 m -105.65 161.08 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.423 HG23 ' C ' ' A' ' 31' ' ' VAL . 94.2 t -141.77 106.59 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 mp -82.42 137.98 34.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.454 HG21 ' CE1' ' A' ' 16' ' ' TYR . 21.4 m -109.77 112.71 24.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -139.32 105.12 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -95.83 164.38 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.461 HD11 ' CG1' ' A' ' 44' ' ' VAL . 25.5 mt -135.63 159.32 41.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -86.42 10.07 16.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.501 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 61.6 mmt-85 -146.7 135.63 11.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HG2' ' CD1' ' A' ' 41' ' ' TRP . 53.8 Cg_endo -69.74 -49.66 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.501 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 1.5 p-90 -81.52 16.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.18 110.21 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -83.77 135.18 34.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 37' ' ' LEU . 15.6 m -116.92 166.01 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -146.36 126.27 13.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.438 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 61.4 m95 -90.49 133.98 34.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.6 p -123.47 132.4 53.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HD2' ' CZ ' ' A' ' 83' ' ' TYR . 14.9 tttm -113.85 106.41 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 66.96 45.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.62 -30.91 3.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' LYS . 4.1 mm-40 -84.49 161.88 20.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.72 135.91 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.0 m -67.09 140.34 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 p -117.85 131.23 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -46.65 146.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.436 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -169.14 167.63 5.52 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.709 0.766 . . . . 0.0 110.83 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.6 Cg_endo -69.76 4.03 2.43 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.38 -7.87 9.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.414 HD23 ' CD2' ' A' ' 61' ' ' LEU . 7.5 tt -140.32 108.19 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.3 mt -101.22 126.41 47.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.414 ' CD2' HD23 ' A' ' 59' ' ' LEU . 77.8 mt -95.48 110.72 22.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -93.46 143.81 25.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -136.0 119.73 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 4.4 tt0 -97.02 -175.07 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -49.93 -68.74 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 p -118.76 2.43 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -126.08 142.52 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.0 mmt-85 -110.37 156.06 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -149.17 147.47 28.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.1 tp -115.66 107.63 15.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.7 t -102.12 138.23 27.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.472 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -123.55 107.21 31.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.565 0.698 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -9.84 27.09 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.72 107.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -101.85 170.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -140.32 148.99 42.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.5 mt -48.69 -29.97 5.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -69.91 -36.74 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -57.72 -34.17 69.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.5 p -51.14 116.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.82 -124.71 0.76 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -131.33 104.52 7.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.377 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.47 ' CZ ' ' HD2' ' A' ' 48' ' ' LYS . 27.7 m-85 -89.01 109.37 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.62 111.9 23.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.438 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 42.4 t -89.22 107.14 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -102.38 137.89 40.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.571 HD13 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.82 -59.2 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -135.02 -72.42 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -120.06 -11.2 9.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' A' ' 90' ' ' GLU . 4.5 mp0 -111.76 168.88 9.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.9 p -147.18 146.73 29.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.436 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -103.53 133.04 49.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.2 t -86.14 123.13 31.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 92' ' ' ALA . 44.1 m-85 -131.93 99.86 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.1 m -83.35 119.22 24.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.8 t -125.1 92.99 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.6 m -91.38 122.43 33.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.2 t -106.29 133.35 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.3 p -128.3 174.79 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -74.73 134.18 75.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.662 0.744 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 168.67 20.89 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.11 17.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.262 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.1 p -51.77 128.74 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -134.3 -46.74 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.3 mp -55.92 105.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 67.9 mt -127.29 105.15 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.106 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -110.75 130.99 55.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -139.09 153.09 47.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 169.99 163.46 24.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.71 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -56.54 100.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.2 t -69.74 150.71 46.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 p -124.61 91.83 3.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -100.92 154.61 18.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.03 162.04 28.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t -127.54 42.78 3.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m -89.47 159.07 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.03 59.63 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.2 p -139.47 149.11 43.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 111.158 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.81 42.79 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 11' ' ' SER . 91.8 t -102.25 139.32 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.44 ' N ' HG12 ' A' ' 10' ' ' VAL . 73.0 m -85.61 -55.91 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.5 p -152.88 113.12 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.612 ' CD1' ' CB ' ' A' ' 88' ' ' ASP . 58.8 m95 -51.67 -50.13 61.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.5 mt -71.8 97.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.3 p -73.91 -27.36 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -166.07 145.42 5.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.654 0.74 . . . . 0.0 110.966 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.4 Cg_endo -69.76 166.5 73.9 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.397 -0.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -104.99 64.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.0 -159.61 27.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -83.68 143.4 30.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -134.02 136.67 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -105.38 140.57 38.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -144.07 122.29 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.48 124.24 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.87 176.71 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.9 t -130.72 155.05 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -45.4 117.83 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt 65.61 39.28 5.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 32.9 tp10 -99.68 157.62 16.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.462 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -97.48 105.99 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.468 ' CG2' HD13 ' A' ' 72' ' ' LEU . 16.6 m -106.86 157.76 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.7 t -140.22 107.17 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.434 HD21 ' CZ3' ' A' ' 46' ' ' TRP . 4.2 mp -84.08 139.05 32.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.6 m -110.79 113.57 26.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.85 106.89 6.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -95.96 159.59 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' CD1' HG11 ' A' ' 44' ' ' VAL . 44.3 mt -129.69 161.49 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.453 ' O ' ' NH1' ' A' ' 39' ' ' ARG . 5.4 t -87.15 10.44 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.573 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 49.9 mmt-85 -148.45 140.26 14.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.718 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -51.72 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.281 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.573 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 5.5 p-90 -84.33 23.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.72 109.88 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -85.19 135.08 34.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.426 HG11 ' CD1' ' A' ' 37' ' ' LEU . 28.2 m -120.46 173.74 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -150.92 126.37 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.434 ' CZ3' HD21 ' A' ' 33' ' ' LEU . 56.8 m95 -90.39 142.46 27.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.7 p -135.16 127.21 29.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -100.79 100.54 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 64.73 37.01 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.64 -31.23 7.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -80.09 122.93 27.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -65.44 115.92 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.51 139.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' GLU . 14.4 p -118.9 128.55 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.3 mt-10 -38.44 147.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.435 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.23 167.59 4.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.435 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.4 Cg_endo -69.7 3.11 2.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.8 -7.36 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 61' ' ' LEU . 8.0 tt -140.44 105.17 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.1 mt -98.79 129.21 45.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.469 ' CD2' HD22 ' A' ' 59' ' ' LEU . 75.7 mt -100.05 110.46 22.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -92.32 147.36 22.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -139.22 120.46 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.468 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 4.0 tt0 -99.54 -174.73 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.06 -71.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 p -115.69 2.39 13.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.468 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -126.8 145.93 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -115.09 156.11 25.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -147.15 149.48 33.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 tp -118.98 102.29 8.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 77.9 t -99.03 138.65 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -122.5 110.99 31.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -11.23 30.41 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.96 110.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 m -103.9 169.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -139.71 145.6 38.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 mt -45.21 -34.66 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -38.18 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -54.91 -33.85 62.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.0 p -53.21 121.24 7.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -172.34 -119.84 0.54 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -133.59 100.42 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -84.51 105.83 15.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.14 120.06 41.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.4 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 42.4 t -97.91 107.52 20.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -99.43 136.81 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.542 ' CG1' ' N ' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -112.85 -76.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.612 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 3.4 t0 -113.06 -71.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.05 -16.6 6.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -106.48 169.75 8.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.9 p -144.97 149.35 35.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.82 134.54 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.9 t -90.31 126.52 35.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -134.69 99.9 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.7 m -81.64 120.97 25.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.14 93.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 m -92.68 118.05 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.7 t -102.41 143.99 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.9 p -136.69 174.82 10.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -75.39 135.35 72.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.629 0.728 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 164.66 33.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 178.93 4.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.3 t -135.25 106.79 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -126.09 -175.89 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 21.0 mt -53.7 130.77 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 107' ' ' TYR . 92.7 mt -121.42 142.03 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.453 ' N ' HG22 ' A' ' 106' ' ' ILE . 18.7 m-85 -95.95 39.25 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 t -167.75 147.29 4.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -136.58 81.22 0.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 113.1 3.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -69.24 149.42 48.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.794 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.1 p -80.92 147.55 30.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -129.94 106.7 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -66.05 125.66 26.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.5 -79.74 0.58 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -121.53 105.35 10.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m -158.05 123.98 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.07 98.5 0.94 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.5 p -89.82 41.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.735 0.303 . . . . 0.0 111.096 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.94 7.59 5.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.67 150.47 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.0 m -91.98 -61.89 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.3 m -110.67 112.1 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.516 ' CD2' HD13 ' A' ' 87' ' ' ILE . 73.0 m95 -62.92 -56.2 19.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.4 mt -64.86 92.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.84 -28.95 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.581 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -165.31 145.73 5.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 0.0 110.912 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.2 Cg_endo -69.81 164.33 79.65 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.317 -0.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -106.79 65.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.31 -152.63 24.74 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -83.72 146.86 27.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.5 t -134.9 124.11 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -100.89 137.62 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.9 t -144.04 127.89 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.91 129.6 53.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.69 176.62 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -132.65 156.13 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -44.4 117.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt 66.65 36.49 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 17.8 tp10 -95.49 158.65 15.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -100.44 99.06 9.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.459 ' CG2' HD13 ' A' ' 72' ' ' LEU . 22.5 m -99.36 159.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.409 ' CG1' ' HD2' ' A' ' 69' ' ' ARG . 99.2 t -140.48 108.38 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 mp -88.25 140.84 29.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.1 m -114.19 123.47 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.414 ' C ' HG21 ' A' ' 67' ' ' VAL . 2.6 t -142.74 112.07 6.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -96.12 158.8 15.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.1 mt -130.2 154.02 47.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -70.27 -18.15 63.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -133.51 145.42 56.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.646 0.736 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.465 ' HG2' ' CD1' ' A' ' 41' ' ' TRP . 54.4 Cg_endo -69.7 -51.32 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.382 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.465 ' CD1' ' HG2' ' A' ' 40' ' ' PRO . 2.0 p-90 -81.96 40.81 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.81 115.24 28.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -80.91 132.34 35.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.1 m -126.77 171.98 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -152.69 128.72 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.508 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 65.4 m95 -88.98 137.85 31.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.3 p -130.43 127.51 39.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -101.79 103.9 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 63.02 36.2 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.46 -33.01 6.15 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -77.03 148.75 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -89.31 110.42 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 46' ' ' TRP . 28.3 m -55.08 141.06 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.53 137.04 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -42.3 149.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.431 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -171.15 166.35 4.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.88 -179.781 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 53.4 Cg_endo -69.79 5.01 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.31 -10.91 7.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 61' ' ' LEU . 7.0 tt -135.04 101.55 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.9 mt -94.67 127.25 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.472 ' CD2' HD22 ' A' ' 59' ' ' LEU . 79.8 mt -98.51 112.54 24.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -96.57 161.87 13.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -150.0 113.28 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 1.8 tp10 -92.22 -179.98 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -40.74 -68.25 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.39 6.51 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -127.08 123.46 62.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.1 mmt-85 -86.82 147.69 25.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.409 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 24.4 mtm180 -135.48 145.74 47.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.7 tp -120.67 98.1 5.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.9 t -95.56 137.4 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.459 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -122.5 106.39 35.21 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.01 27.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.89 105.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.7 m -103.18 171.93 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -139.13 150.16 45.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.0 mt -50.63 -37.55 41.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -67.36 -36.32 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -56.98 -35.94 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.3 p -52.96 120.84 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.7 -123.58 0.7 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -127.82 101.36 6.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -84.35 102.87 13.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -102.58 115.58 30.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.508 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 43.4 t -97.2 107.62 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.9 139.7 35.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.516 HD13 ' CD2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -113.74 -57.07 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.483 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 3.6 t0 -134.98 -72.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -118.97 -25.62 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -100.18 169.2 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.9 p -145.31 147.0 31.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.68 125.39 50.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.8 t -85.88 130.03 34.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -134.86 101.37 4.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.8 m -79.96 119.97 23.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.1 t -124.39 92.72 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.4 m -89.32 121.8 31.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 44.4 t -105.88 148.34 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.5 p -139.96 -177.71 5.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -84.49 133.87 43.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.35 24.73 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.62 23.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.6 t -94.66 126.52 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -130.77 -58.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.2 mt -137.41 120.52 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.06 122.49 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -146.7 171.34 15.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 t -91.41 143.2 26.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -141.35 -75.17 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.6 9.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.8 m -82.21 162.96 22.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 79.1 p -84.32 -22.26 30.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -51.56 106.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.393 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -159.32 157.82 31.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.16 152.61 20.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -165.83 156.79 13.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -142.51 131.21 22.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.8 123.17 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.4 p -122.85 91.13 3.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.79 0.328 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.53 87.43 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.433 HG21 ' N ' ' A' ' 11' ' ' SER . 15.0 p -153.41 159.5 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' SER . 48.5 t -74.56 148.69 40.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 11' ' ' SER . 67.3 m -34.97 110.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.814 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.53 ' CE3' HD13 ' A' ' 87' ' ' ILE . 61.8 m95 -59.94 -54.57 44.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.9 mt -69.05 101.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 16' ' ' TYR . 12.2 p -77.16 -27.12 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -164.38 146.67 7.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.709 0.766 . . . . 0.0 110.894 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.1 Cg_endo -69.72 168.44 67.3 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.351 -0.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -102.67 63.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.13 -153.36 24.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -86.81 147.2 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.3 t -133.44 126.59 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -98.42 133.59 42.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -136.07 137.95 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.97 131.8 56.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.416 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . . . -134.17 171.77 13.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.1 t -125.75 160.4 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -48.69 118.63 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 mt 68.78 34.4 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 10.9 tp10 -98.59 159.66 14.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.466 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.96 122.45 45.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.416 ' CG1' ' HB3' ' A' ' 25' ' ' ALA . 23.5 m -118.48 165.08 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.7 t -144.24 106.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.71 139.85 32.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.1 m -112.04 117.67 33.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -142.65 105.67 4.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -95.89 161.75 13.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' CD1' ' CG1' ' A' ' 44' ' ' VAL . 33.7 mt -132.03 155.76 47.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.6 p -81.59 9.24 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.423 ' CD ' ' CZ2' ' A' ' 41' ' ' TRP . 9.1 mmp_? -145.07 136.22 12.49 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.459 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.82 -50.17 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.423 ' CZ2' ' CD ' ' A' ' 39' ' ' ARG . 2.5 p-90 -82.31 19.07 1.27 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' HB2' ' CB ' ' A' ' 39' ' ' ARG . . . -84.38 119.57 25.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -90.25 145.5 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG1' ' CD1' ' A' ' 37' ' ' LEU . 11.2 m -126.02 166.69 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -149.44 126.03 10.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.479 ' CE2' ' SG ' ' A' ' 85' ' ' CYS . 53.5 m95 -90.94 133.22 35.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.5 p -120.32 132.84 55.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -112.69 102.06 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 72.28 40.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.99 -32.06 5.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -84.99 161.24 19.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.06 136.25 33.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.4 m -66.2 142.04 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.97 129.1 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -46.0 146.44 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.443 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -168.57 167.67 6.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.691 0.758 . . . . 0.0 110.838 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.6 Cg_endo -69.71 1.49 4.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.03 -12.27 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.444 ' CD2' HD22 ' A' ' 61' ' ' LEU . 8.0 tt -134.4 102.98 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.422 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 65.8 mt -96.5 125.89 41.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.444 HD22 ' CD2' ' A' ' 59' ' ' LEU . 81.9 mt -98.07 109.71 22.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' ARG . 58.4 mm-40 -92.98 146.81 23.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HG2' ' CZ ' ' A' ' 68' ' ' ARG . 20.6 mttt -135.82 112.68 10.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 4.1 tt0 -87.09 -175.02 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 1.1 p -120.24 3.04 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -126.91 143.73 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.471 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 5.2 mmm180 -105.19 156.07 18.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 62' ' ' GLN . 34.3 mtm180 -149.1 142.88 25.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.8 tp -117.77 110.56 17.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.415 ' C ' HD13 ' A' ' 72' ' ' LEU . 88.9 t -106.3 136.83 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.46 ' N ' HD13 ' A' ' 72' ' ' LEU . 7.3 mp -118.44 102.19 50.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.422 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 53.4 Cg_endo -69.78 -9.42 26.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.34 105.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -104.83 168.75 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -144.9 144.89 31.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.7 mt -44.01 -29.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.75 -38.7 73.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.81 -36.02 66.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.8 p -45.42 116.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -168.84 -139.14 2.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -119.89 102.02 8.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.895 0.379 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -85.27 109.53 18.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -110.17 113.94 27.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.479 ' SG ' ' CE2' ' A' ' 46' ' ' TRP . 6.2 t -88.04 107.4 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -101.91 134.16 45.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.53 HD13 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.64 -61.09 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.151 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.415 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 1.7 t70 -133.93 -71.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -119.29 -20.85 7.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -103.47 168.96 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.3 p -145.93 147.53 31.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.66 131.73 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 t -85.86 124.42 32.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -132.77 99.97 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.1 m -83.17 126.82 33.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.3 t -134.11 107.51 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.7 m -104.59 118.5 36.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 97.1 t -100.94 146.35 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.4 p -143.68 172.96 12.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.18 137.02 68.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.694 0.759 . . . . 0.0 110.815 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.91 36.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 171.99 13.4 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.358 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.2 t -123.45 123.59 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.158 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.4 mtm105 -95.54 -45.87 6.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.6 mm -124.01 125.5 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.4 mp -103.85 119.48 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -102.11 -53.51 2.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.6 p -95.3 -57.69 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.3 -153.5 21.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.61 65.19 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 m -45.15 135.05 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.1 t 46.63 42.72 11.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -161.53 156.67 23.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -47.38 164.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.92 61.0 4.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t -75.14 -46.71 32.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.916 0.389 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' GLY . 43.6 t -133.27 125.24 28.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.63 131.8 0.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.2 m -90.0 100.54 13.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.157 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 t70 56.08 42.46 28.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -114.03 131.05 67.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' SER . 8.2 t -74.6 165.45 25.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 11' ' ' SER . 37.5 m -34.56 105.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.836 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CE3' HD12 ' A' ' 87' ' ' ILE . 55.2 m95 -36.91 -51.86 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.8 mt -73.03 97.96 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.43 HG12 ' CA ' ' A' ' 37' ' ' LEU . 14.1 p -74.15 -27.6 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -166.07 145.73 5.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.666 0.746 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.7 166.06 74.87 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.353 -0.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -104.89 65.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.01 -148.5 20.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -93.54 145.73 24.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.09 145.42 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -113.78 138.77 49.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 t -143.99 143.49 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.24 138.03 51.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB1' ' CG1' ' A' ' 31' ' ' VAL . . . -135.62 169.02 18.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -132.99 160.49 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -45.86 112.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt 67.41 43.54 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 11.6 tp10 -98.9 161.93 13.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -106.25 100.69 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG1' ' HB1' ' A' ' 25' ' ' ALA . 21.9 m -98.19 159.08 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.426 HG21 ' C ' ' A' ' 31' ' ' VAL . 89.3 t -141.21 105.35 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 mp -84.73 139.3 32.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.9 m -110.34 118.83 37.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.96 105.76 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -95.88 158.07 15.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.43 ' CA ' HG12 ' A' ' 15' ' ' VAL . 50.3 mt -127.87 158.85 36.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 t -83.06 6.45 18.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.546 ' HD3' ' CZ2' ' A' ' 41' ' ' TRP . 1.5 mmp_? -149.17 141.61 15.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.571 0.7 . . . . 0.0 110.875 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.546 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 2.4 p-90 -82.71 33.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -95.61 110.06 22.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.19 140.31 31.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.3 m -127.56 167.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -142.88 122.38 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 61.0 m95 -86.63 134.67 33.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.3 p -127.42 127.83 44.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -99.84 93.95 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t0 72.57 36.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.48 -31.78 7.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -80.05 142.64 34.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -81.79 116.32 21.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 m -59.6 133.94 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -110.88 132.16 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -42.88 148.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.443 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.93 167.77 3.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.78 2.99 3.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.95 -14.01 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.4 tt -134.64 100.48 4.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.427 ' CD1' ' HG3' ' A' ' 73' ' ' PRO . 57.8 mt -93.31 127.43 38.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 87.7 mt -97.12 112.05 24.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' ARG . 50.0 mm-40 -95.63 145.47 25.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.408 ' HG3' ' NH1' ' A' ' 68' ' ' ARG . 7.9 mptt -136.57 125.55 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 3.0 tp10 -100.49 -176.76 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.39 -63.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 p -124.76 -2.08 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.526 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -120.53 137.78 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' A' ' 63' ' ' LYS . 4.4 mmm180 -99.86 156.09 17.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' GLN . 20.5 mtm180 -147.51 143.87 28.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 tp -116.43 111.84 20.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.0 t -108.24 134.23 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.459 ' N ' HD11 ' A' ' 72' ' ' LEU . 7.0 mp -118.07 103.79 49.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HG3' ' CD1' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.78 -12.67 33.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.45 105.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.89 170.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -136.93 149.83 47.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.8 mt -52.17 -37.94 56.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.67 -37.1 85.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.03 -34.35 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.8 p -42.28 120.32 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.56 -136.1 2.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -124.73 127.01 46.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -103.21 105.7 16.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.69 111.12 23.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.528 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 42.3 t -94.24 106.83 18.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -104.22 136.55 43.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.572 HD12 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -106.14 -55.02 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -135.02 -72.55 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -119.6 -17.82 8.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -106.47 167.72 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.5 p -146.76 148.6 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.476 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -103.27 133.27 48.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.5 t -87.58 126.97 35.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CE2' ' HB1' ' A' ' 92' ' ' ALA . 56.7 m-85 -134.16 99.98 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.7 m -81.22 123.21 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.4 t -130.56 105.16 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 88.3 m -102.83 119.88 39.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 53.2 t -95.51 152.67 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.2 p -147.53 174.02 12.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -81.27 134.39 52.06 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.662 0.744 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 165.45 30.92 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 165.6 30.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.0 t -105.3 115.75 47.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -130.19 -44.45 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.3 tt -86.68 135.44 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.79 87.11 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -101.88 172.67 6.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.6 m -81.65 -61.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 160.53 81.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.3 57.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 m -102.94 133.89 47.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m -74.42 162.99 28.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -52.33 135.52 32.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.358 . . . . 0.0 110.834 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -107.12 109.15 20.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.13 -67.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.5 p -79.84 170.59 16.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 m -114.22 -60.84 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.26 174.19 31.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.3 p -101.27 96.85 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 111.188 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -71.83 107.1 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.8 p -153.39 149.16 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -55.69 -61.05 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.9 p -165.24 114.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.528 ' CE3' HD12 ' A' ' 87' ' ' ILE . 43.0 m95 -50.01 -53.42 26.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mt -77.37 93.59 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.446 HG13 ' CA ' ' A' ' 37' ' ' LEU . 9.5 p -71.58 -19.73 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -173.23 145.37 1.23 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.691 0.758 . . . . 0.0 110.888 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.7 Cg_endo -69.76 169.6 62.57 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.305 -0.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.2 p -105.97 64.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.54 -140.19 9.39 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -100.88 143.48 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -133.75 127.58 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -97.68 139.77 33.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.4 t -141.07 137.47 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.54 140.15 45.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . . . -134.99 174.44 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -135.93 160.8 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -45.33 110.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 mt 68.38 44.38 1.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 4.3 tp10 -97.35 158.08 15.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 1.2 tmt_? -104.39 94.58 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 25' ' ' ALA . 21.1 m -91.98 161.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.415 HG21 ' C ' ' A' ' 31' ' ' VAL . 91.1 t -141.78 105.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.552 HD22 ' CZ3' ' A' ' 46' ' ' TRP . 5.0 mp -80.37 138.71 36.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -112.98 113.07 24.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 t -138.52 105.76 5.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -95.84 156.55 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.446 ' CA ' HG13 ' A' ' 15' ' ' VAL . 30.4 mt -127.84 164.14 22.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.3 p -88.28 10.58 19.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.581 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.4 mmt180 -150.81 138.68 12.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -50.02 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.752 2.301 . . . . 0.0 112.314 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.581 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.6 p-90 -83.18 29.44 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.24 109.76 20.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.052 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -82.54 133.61 35.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.3 m -122.18 169.09 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -146.22 126.31 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 61.2 m95 -90.49 135.29 33.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.7 p -122.01 127.35 50.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 53' ' ' VAL . 8.3 tmtt? -108.38 100.81 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.0 t70 71.27 35.8 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.83 -30.79 7.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -84.15 155.54 22.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -91.79 111.19 22.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 48' ' ' LYS . 17.9 m -51.25 137.99 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 p -113.43 134.81 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -44.09 147.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.444 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.48 167.99 4.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.71 0.767 . . . . 0.0 110.835 -179.752 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.444 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.5 Cg_endo -69.8 1.42 4.48 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.262 . . . . 0.0 112.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.68 -12.7 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.457 HD23 ' CD2' ' A' ' 61' ' ' LEU . 8.3 tt -135.02 103.66 5.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.0 mt -95.47 129.46 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.457 ' CD2' HD23 ' A' ' 59' ' ' LEU . 85.2 mt -102.38 108.03 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -92.12 146.78 23.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HG2' ' CZ ' ' A' ' 68' ' ' ARG . 27.7 mtmt -138.8 113.24 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 3.5 tp10 -87.52 -174.59 4.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -60.01 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.6 p -126.4 -1.26 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.523 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.5 p -121.96 139.24 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 4.7 mmm180 -105.69 156.22 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -149.83 141.0 23.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.0 tp -112.03 103.8 12.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.1 t -99.38 136.66 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -122.41 105.31 36.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -12.9 33.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.369 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.78 108.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -106.68 175.0 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -142.72 145.66 33.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.2 mt -47.42 -40.06 17.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -62.35 -39.53 93.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -55.98 -32.04 63.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.0 p -47.86 121.68 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -179.05 -127.13 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -125.88 139.01 53.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -119.54 105.14 10.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.57 112.12 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.575 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 51.8 t -94.03 107.05 19.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -101.39 137.08 40.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.528 HD12 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.12 -57.16 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -135.04 -72.95 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -120.25 -11.7 9.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -113.7 166.49 11.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.4 p -143.99 148.58 35.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.492 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -103.61 134.56 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 t -87.41 124.95 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 92' ' ' ALA . 60.3 m-85 -134.19 99.92 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.4 m -81.58 126.02 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.0 t -130.27 106.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 92.5 m -109.67 118.37 36.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 67.2 t -97.81 146.61 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.2 p -138.59 176.56 8.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -78.87 135.54 59.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 168.19 22.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.4 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 175.56 7.88 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 104' ' ' ARG . 67.5 t -139.46 143.75 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.409 ' N ' HG12 ' A' ' 103' ' ' VAL . 62.9 ttt180 -117.88 -47.0 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.57 118.52 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.6 mt -109.79 121.22 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -101.51 161.39 13.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.0 t -107.21 120.93 43.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 170.09 137.86 2.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 99.48 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.664 2.243 . . . . 0.0 112.313 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.9 p -101.95 114.6 28.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.4 m -50.86 122.75 7.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.541 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -149.87 163.11 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -150.15 173.9 13.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.52 121.02 5.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -152.04 120.3 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 0.0 110.813 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 m -73.42 149.6 42.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.69 -143.5 14.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.6 p 37.2 41.18 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 111.13 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -53.26 100.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.1 m -76.28 131.8 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.5 m -70.72 -49.75 43.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 13' ' ' TRP . 27.7 m -150.25 114.04 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.457 ' HB2' ' CG ' ' A' ' 90' ' ' GLU . 47.3 m95 -35.47 -56.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.464 ' CD1' ' C ' ' A' ' 91' ' ' SER . 26.4 mt -74.4 95.57 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.63 -32.33 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.583 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -158.7 146.03 13.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.684 0.754 . . . . 0.0 110.892 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.0 Cg_endo -69.78 170.48 58.34 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.325 -0.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -103.51 63.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.09 -140.07 9.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -99.12 145.38 27.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.0 t -134.22 122.09 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -94.18 132.95 38.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.6 t -135.4 127.7 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.7 135.6 44.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.436 ' HB1' ' CG1' ' A' ' 31' ' ' VAL . . . -134.61 173.55 11.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -129.08 155.92 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -44.89 117.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.6 mt 66.97 35.99 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 18.9 tp10 -95.52 158.97 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.45 102.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.436 ' CG1' ' HB1' ' A' ' 25' ' ' ALA . 33.4 m -104.34 163.11 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.462 ' CG1' ' HD2' ' A' ' 69' ' ' ARG . 83.6 t -141.72 110.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 mp -86.34 141.35 29.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.473 HG22 ' CE1' ' A' ' 16' ' ' TYR . 16.6 m -112.82 118.13 34.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.6 t -139.67 106.99 5.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -95.97 162.01 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.483 ' CD1' ' CG1' ' A' ' 44' ' ' VAL . 58.7 mt -133.84 155.4 49.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.6 p -80.64 4.13 19.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.567 ' HD3' ' CZ2' ' A' ' 41' ' ' TRP . 1.8 mmp_? -143.64 137.29 14.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.6 0.714 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.73 -48.86 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.567 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 3.3 p-90 -83.9 27.05 0.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.85 110.01 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -80.86 136.13 36.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.483 ' CG1' ' CD1' ' A' ' 37' ' ' LEU . 5.0 m -120.63 166.65 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.3 ttm-85 -147.87 126.94 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -90.44 138.71 31.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.5 p -133.15 132.99 42.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' GLU . 13.2 tttt -102.88 105.56 15.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.22 46.48 10.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.66 -33.07 4.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 48' ' ' LYS . 17.6 mt-10 -78.05 153.02 32.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -93.7 116.24 28.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.2 m -59.79 138.14 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -113.75 139.79 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -49.0 148.0 2.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.44 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.31 167.66 3.83 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.655 0.741 . . . . 0.0 110.85 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.44 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.77 3.51 2.74 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.03 -5.95 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.456 HD22 ' CD2' ' A' ' 61' ' ' LEU . 8.4 tt -141.94 105.14 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.6 mt -99.03 127.24 44.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.456 ' CD2' HD22 ' A' ' 59' ' ' LEU . 80.6 mt -96.55 110.92 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' ARG . 59.8 mm-40 -92.82 147.55 22.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -143.13 116.96 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -93.61 -174.59 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.8 -64.71 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.456 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 2.3 p -123.21 -7.67 8.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -114.82 132.18 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.3 mmt-85 -99.58 154.54 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.462 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 34.4 mtm180 -144.19 151.49 39.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 tp -121.02 103.39 9.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 78.6 t -101.13 137.14 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -120.46 108.94 37.07 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -11.97 31.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.67 107.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 m -103.74 169.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 79' ' ' ASP . 21.1 mm-40 -141.05 147.07 38.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.7 mt -44.6 -33.78 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -67.58 -36.82 81.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 76' ' ' GLN . 5.1 m-20 -55.55 -30.44 60.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.6 p -55.21 121.07 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.56 -123.17 0.78 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -131.88 116.11 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -101.51 108.42 19.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -106.31 120.38 41.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.9 t -100.21 107.17 18.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.72 140.1 34.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.433 HD11 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -111.97 -58.31 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -135.02 -73.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.39 -11.94 9.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 13' ' ' TRP . 2.9 pt-20 -115.76 168.21 10.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.464 ' C ' ' CD1' ' A' ' 14' ' ' ILE . 60.0 p -144.5 151.79 39.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.434 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . . . -103.3 137.15 41.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.06 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.2 t -89.69 122.95 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 92' ' ' ALA . 56.1 m-85 -133.4 99.86 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.2 m -82.33 125.42 30.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.7 t -125.67 97.57 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.9 m -97.34 114.52 26.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 40.9 t -100.52 147.19 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 p -140.16 177.7 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.11 136.92 53.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.3 50.2 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -178.73 2.5 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.6 p -66.17 138.37 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -128.32 144.99 51.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.1 tt -63.19 85.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.2 mm -72.34 122.09 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -117.79 135.08 54.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.9 t -53.24 116.81 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.59 -144.71 3.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.443 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 164.36 34.81 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.646 2.231 . . . . 0.0 112.383 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t 51.27 41.47 27.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.8 p -82.53 132.68 35.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -89.14 88.54 7.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -89.56 100.78 13.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.7 -122.93 0.77 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.447 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -147.25 175.8 10.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.816 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -113.75 -62.48 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.76 77.96 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.554 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.3 p -124.32 146.73 48.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.145 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -111.23 41.45 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 12' ' ' SER . 3.8 m -78.34 -33.63 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 t 38.89 30.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' VAL . 1.1 t -174.07 122.94 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.533 ' CD2' HD11 ' A' ' 87' ' ' ILE . 59.9 m95 -58.42 -49.0 78.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.0 mt -73.86 89.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 16' ' ' TYR . 5.5 p -68.68 -22.32 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.614 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -172.5 146.23 1.55 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.679 0.752 . . . . 0.0 110.975 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.7 Cg_endo -69.76 169.19 64.52 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.331 -0.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 m -104.44 64.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.64 -139.14 8.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -98.66 146.88 25.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.837 0.351 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.439 ' CG2' ' HG3' ' A' ' 17' ' ' PRO . 96.8 t -134.3 113.1 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.0 132.16 38.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.57 138.0 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.37 117.73 31.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.466 ' HB1' ' CG1' ' A' ' 31' ' ' VAL . . . -118.39 176.44 5.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 t -130.05 158.89 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -48.48 116.26 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt 69.41 37.1 2.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 18.1 tp10 -98.8 157.24 16.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 1.9 tmt_? -101.31 108.83 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG1' ' HB1' ' A' ' 25' ' ' ALA . 17.7 m -110.14 159.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.1 t -140.05 105.54 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.64 140.93 36.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 m -113.9 115.22 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 t -138.4 106.02 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -95.7 152.04 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 44.2 mt -119.99 171.38 8.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.402 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 27.2 p -94.81 14.25 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 27.8 mmm180 -151.37 147.99 21.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.459 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 53.7 Cg_endo -69.78 -51.72 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 -87.42 17.47 4.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 37' ' ' LEU . . . -72.11 109.7 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.411 ' C ' HG13 ' A' ' 44' ' ' VAL . 30.7 mm-40 -85.21 153.97 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG13 ' C ' ' A' ' 43' ' ' GLU . 23.6 m -139.36 170.29 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -144.04 125.79 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.474 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 48.4 m95 -92.62 134.4 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.6 p -127.77 139.96 52.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -110.17 94.29 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 t70 74.23 28.31 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.84 -33.1 6.75 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -78.9 151.67 31.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -91.66 120.63 32.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -63.35 141.88 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' GLU . 13.3 p -117.42 128.83 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.7 mt-10 -37.84 146.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.458 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.15 168.42 4.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.881 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.74 3.44 2.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.4 -3.13 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.8 tt -145.13 105.12 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.0 mt -98.06 133.3 42.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.7 mt -104.25 111.04 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -95.91 146.32 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -138.46 112.04 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 3.6 tt0 -86.64 -174.74 5.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -70.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 2.4 p -114.26 1.78 14.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.8 p -127.31 146.37 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.4 mmt-85 -111.62 155.8 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -147.24 150.27 34.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 tp -122.64 105.38 10.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.404 ' C ' HD13 ' A' ' 72' ' ' LEU . 75.5 t -98.85 141.45 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 71' ' ' VAL . 7.2 mp -124.24 106.47 30.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.587 0.708 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -13.63 34.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.36 107.56 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.02 163.0 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -136.0 146.29 47.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 mt -43.91 -37.77 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -62.26 -38.95 91.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.14 -29.94 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.4 p -54.44 114.75 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.96 -124.63 0.73 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -133.62 104.03 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -85.75 109.89 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.91 113.93 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.474 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 36.2 t -92.92 107.15 19.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -102.97 135.2 45.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.545 ' CG1' ' N ' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -105.28 -77.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.545 ' N ' ' CG1' ' A' ' 87' ' ' ILE . 1.5 t70 -116.37 -68.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -126.21 -0.16 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -118.0 169.06 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.6 p -147.36 145.11 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -106.32 135.55 47.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 t -88.64 124.49 34.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -134.81 99.75 4.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.5 m -84.99 125.62 32.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.1 t -128.73 92.4 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.6 m -88.18 126.91 35.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 75.9 t -108.67 136.0 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 p -127.6 171.45 11.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -74.42 130.04 82.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.672 0.749 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 168.78 20.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.743 2.295 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 168.71 20.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.372 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 p -81.18 132.55 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -125.48 146.93 49.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.449 ' O ' ' CG2' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -39.57 127.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.5 mt -92.33 89.19 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -65.35 -63.03 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.9 m -87.75 159.02 18.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -67.06 -179.94 12.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 158.68 56.18 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.74 2.294 . . . . 0.0 112.364 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.5 m -129.92 176.63 7.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.3 m -41.15 152.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.3 p -135.43 149.45 49.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -92.14 144.87 24.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.71 139.23 7.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -84.04 145.34 28.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.814 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -65.48 165.4 12.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.65 132.33 51.81 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 p -119.1 93.61 4.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.128 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -100.5 101.21 12.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 p -151.97 145.64 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.2 p -74.78 -46.23 38.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.5 m -162.11 119.31 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.471 ' CD1' ' CB ' ' A' ' 88' ' ' ASP . 31.7 m95 -66.67 -54.81 19.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.7 mt -68.5 91.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.441 HG12 ' CA ' ' A' ' 37' ' ' LEU . 7.1 p -72.06 -18.24 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.551 ' HA ' ' C ' ' A' ' 17' ' ' PRO . 1.1 t80 -173.85 144.46 1.04 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.667 0.746 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.74 166.2 74.61 Favored 'Cis proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.357 -0.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -100.61 63.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.39 -156.86 26.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -84.49 143.85 29.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.8 t -131.74 136.52 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -106.6 136.08 47.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.7 t -138.22 130.26 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.5 143.25 32.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . . . -142.89 176.6 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -134.61 158.12 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -43.88 116.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 mt 64.17 38.94 7.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 11.1 tp10 -93.51 162.23 14.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -105.23 95.79 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' A' ' 25' ' ' ALA . 17.2 m -96.23 157.77 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.6 t -140.09 110.58 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.88 149.38 24.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.0 m -124.8 122.63 37.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.6 t -142.75 109.9 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.429 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.5 tt0 -96.02 154.4 17.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 22.3 mt -124.34 154.48 40.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.3 p -70.65 -12.69 61.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -138.16 145.13 46.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.561 0.696 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.73 -45.97 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 -82.3 34.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB1' ' CD1' ' A' ' 37' ' ' LEU . . . -98.26 111.27 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -81.68 141.48 33.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.04 173.85 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -155.03 127.07 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.531 ' CE2' ' SG ' ' A' ' 85' ' ' CYS . 66.1 m95 -89.71 137.47 32.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.8 p -131.09 132.55 44.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' GLU . 13.4 tttt -104.34 105.46 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.6 t70 63.7 44.03 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.13 -31.25 5.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 48' ' ' LYS . 13.8 mt-10 -80.56 156.43 26.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -95.5 123.02 38.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.7 m -62.88 143.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 55' ' ' GLU . 13.8 p -118.91 125.78 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.9 mt-10 -35.69 143.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -166.73 168.1 7.38 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.647 0.737 . . . . 0.0 110.88 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.3 Cg_endo -69.81 2.65 3.37 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.236 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.51 -6.33 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.468 HD21 ' CD2' ' A' ' 61' ' ' LEU . 8.0 tt -140.85 104.98 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.9 mt -98.82 126.53 44.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.468 ' CD2' HD21 ' A' ' 59' ' ' LEU . 67.9 mt -97.07 114.41 26.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -98.79 160.87 13.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -150.34 111.91 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 4.3 tp10 -91.8 176.7 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' GLU . 7.8 m-20 -34.84 -73.03 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 0.8 OUTLIER -121.67 7.01 9.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -127.41 126.07 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 80.5 mmt-85 -92.81 150.17 20.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -139.82 148.37 42.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.446 HD12 ' CD1' ' A' ' 72' ' ' LEU . 4.1 tp -118.99 101.91 8.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 77.9 t -95.98 137.35 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.446 ' CD1' HD12 ' A' ' 70' ' ' LEU . 7.2 mp -121.95 105.77 37.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.595 0.712 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -12.54 33.12 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.33 105.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.19 171.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 79' ' ' ASP . 29.0 mm-40 -139.63 144.5 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -43.87 -31.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -33.38 59.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' GLN . 10.2 t0 -57.45 -26.96 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.426 ' HB3' ' CG2' ' A' ' 98' ' ' VAL . 54.2 p -65.61 120.97 13.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.31 -120.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -131.77 101.3 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -87.45 109.7 19.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -107.44 117.47 34.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.531 ' SG ' ' CE2' ' A' ' 46' ' ' TRP . 5.1 t -98.01 106.82 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -94.73 152.31 18.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.444 HD11 ' CE3' ' A' ' 13' ' ' TRP . 1.6 tt -126.39 -63.34 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.471 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 6.6 t0 -134.19 -72.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -16.31 8.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -108.83 167.68 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.0 p -141.46 146.23 36.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.77 127.04 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -86.77 126.69 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -134.53 99.87 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.3 m -80.3 128.76 33.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.65 101.5 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 96.5 m -97.93 124.32 42.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' A' ' 80' ' ' SER . 26.9 t -110.68 135.89 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.5 p -129.59 174.15 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -78.07 136.18 61.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 166.01 29.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -179.1 2.65 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.743 2.295 . . . . 0.0 112.306 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.63 133.72 31.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.155 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 105' ' ' ILE . 20.5 mmm-85 -147.39 169.87 18.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 104' ' ' ARG . 4.0 pt -36.11 134.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.6 mt -105.65 95.7 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -62.34 158.35 17.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -114.1 133.46 55.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.817 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.62 97.57 0.15 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 123.89 10.53 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.721 2.28 . . . . 0.0 112.298 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.0 t -164.4 144.22 7.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.2 t -149.74 131.74 15.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -68.39 165.3 19.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.83 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -98.6 -45.32 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.89 144.23 5.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -131.59 100.73 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.913 0.387 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -98.42 133.24 43.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.67 43.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.4 p -141.07 133.74 28.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.111 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.81 86.6 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.415 HG13 ' CE2' ' A' ' 13' ' ' TRP . 7.2 p -113.77 134.96 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -95.22 -58.42 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.8 p -125.28 95.87 4.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.532 ' CE3' HD13 ' A' ' 87' ' ' ILE . 56.5 m95 -43.29 -58.34 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.6 mt -67.52 94.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.91 -26.33 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -165.12 145.79 6.04 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.669 0.747 . . . . 0.0 110.95 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.6 Cg_endo -69.76 169.57 62.7 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 -0.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 t -106.53 64.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.56 -145.31 14.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -96.01 144.7 26.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -134.58 135.53 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -106.35 138.66 42.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.3 t -140.85 118.85 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.92 132.04 38.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB2' ' CG1' ' A' ' 31' ' ' VAL . . . -128.56 177.07 7.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.27 157.04 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -43.03 113.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt 66.14 45.15 2.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 3.9 tp10 -100.96 157.54 16.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.66 101.96 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 25' ' ' ALA . 29.4 m -100.11 161.17 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.2 t -140.56 105.08 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 mp -81.97 138.82 34.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.488 HG22 ' CE1' ' A' ' 16' ' ' TYR . 28.1 m -112.1 117.55 32.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -140.96 106.92 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -95.64 163.59 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.408 HD11 ' CG1' ' A' ' 44' ' ' VAL . 57.4 mt -134.92 159.39 41.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 t -86.36 9.25 18.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.55 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 47.3 mmt-85 -146.14 138.59 13.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 0.0 110.871 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 54.1 Cg_endo -69.66 -49.43 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.55 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.8 p-90 -86.69 31.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.76 114.92 27.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.67 139.73 30.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' CG1' HD11 ' A' ' 37' ' ' LEU . 16.3 m -124.3 171.95 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -146.14 125.06 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 60.8 m95 -88.98 133.46 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.2 p -122.55 126.76 48.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 53' ' ' VAL . 7.1 tmtt? -108.01 98.56 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 t0 74.95 25.03 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.49 -33.62 6.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 6.8 pt-20 -82.75 146.49 28.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.87 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -81.69 110.8 17.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 48' ' ' LYS . 32.2 m -51.62 134.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.3 p -110.59 135.25 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -42.07 150.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.407 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -172.1 166.14 3.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.676 0.751 . . . . 0.0 110.889 -179.787 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.76 4.69 2.05 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.722 2.281 . . . . 0.0 112.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.76 -11.31 7.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.446 HD22 ' CD2' ' A' ' 61' ' ' LEU . 8.1 tt -134.96 100.27 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.9 mt -91.88 129.55 37.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.446 ' CD2' HD22 ' A' ' 59' ' ' LEU . 86.2 mt -103.08 110.45 22.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -92.57 148.18 22.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -139.27 111.95 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 1.7 tp10 -86.29 -176.05 5.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -53.55 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.446 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 1.1 p -119.67 1.59 11.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.0 p -126.92 147.8 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.8 mmt-85 -111.14 156.4 21.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 mtm105 -149.15 144.94 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.429 HD13 ' CD1' ' A' ' 72' ' ' LEU . 7.3 tp -117.4 108.67 15.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.6 t -104.55 134.84 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.429 ' CD1' HD13 ' A' ' 70' ' ' LEU . 7.4 mp -120.68 104.97 41.62 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.648 0.737 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -10.84 29.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.99 106.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.71 173.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -139.8 146.07 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.2 mt -46.71 -28.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -77.99 -37.14 47.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.92 -32.53 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.3 p -59.22 119.46 7.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -168.4 -122.71 0.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -128.2 102.62 6.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -88.16 107.51 18.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -106.55 115.46 30.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.574 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 49.4 t -95.96 107.36 19.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -102.4 138.01 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.532 HD13 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.65 -56.62 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -135.01 -72.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -118.59 -23.93 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 1.2 pm0 -100.64 169.96 8.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 p -146.9 148.49 31.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.461 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -103.58 129.02 50.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -86.07 121.92 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' A' ' 92' ' ' ALA . 53.7 m-85 -130.38 100.38 5.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.0 m -80.93 127.29 32.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.23 96.68 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 97.6 m -98.77 114.37 26.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 37.0 t -103.26 141.79 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.8 p -133.08 177.54 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -77.09 134.21 68.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.653 0.739 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 162.66 41.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 177.16 5.84 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.0 p -80.91 129.1 38.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 105' ' ' ILE . 21.4 ptt85 -160.34 118.49 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 104' ' ' ARG . 2.7 mp 34.01 53.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 107' ' ' TYR . 1.6 tp -84.75 95.1 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' ILE . 52.2 t80 -34.7 -52.18 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.1 m -40.32 121.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.49 -157.31 9.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 152.48 69.02 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.639 2.226 . . . . 0.0 112.313 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m -142.56 130.95 22.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' GLY . 1.0 OUTLIER -164.0 148.59 10.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 -179.771 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t -93.63 117.05 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -121.3 123.57 42.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.2 97.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.456 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m -157.5 130.35 7.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -37.5 104.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.27 -41.4 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.8 p -101.48 132.28 47.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 111.132 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -98.35 89.66 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.436 HG12 ' CE2' ' A' ' 13' ' ' TRP . 8.3 p -118.58 143.77 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.7 p -83.09 -59.92 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.8 p -133.24 114.43 13.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 88' ' ' ASP . 45.6 m95 -59.61 -53.0 63.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.0 mt -72.51 95.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -73.67 -29.8 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -159.51 146.15 12.44 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.722 0.772 . . . . 0.0 110.884 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.4 Cg_endo -69.74 169.13 64.78 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.337 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.6 m -104.3 64.22 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.77 -138.05 7.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -100.62 146.11 27.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.426 ' CG2' ' HG3' ' A' ' 17' ' ' PRO . 87.8 t -133.69 113.0 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -94.48 130.53 40.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.22 138.03 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.8 118.93 35.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB2' ' CG1' ' A' ' 31' ' ' VAL . . . -119.39 176.18 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -131.86 157.38 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -46.38 115.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt 68.9 38.34 2.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 4.1 tp10 -99.25 157.77 16.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -102.35 105.64 16.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 25' ' ' ALA . 28.0 m -107.73 159.89 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.0 t -141.22 108.67 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 mp -82.48 144.56 30.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.412 HG23 ' CE1' ' A' ' 16' ' ' TYR . 7.2 m -117.2 119.36 34.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 t -142.46 106.51 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -95.76 158.72 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.2 mt -128.96 158.24 39.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.4 t -83.41 6.87 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.57 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 23.0 mmt180 -144.85 140.61 16.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.462 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.71 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.57 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.3 p-90 -83.34 31.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.6 110.44 21.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -88.24 128.8 35.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.1 m -111.36 167.92 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -146.96 124.87 11.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -89.56 135.3 33.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.6 p -130.28 132.51 45.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 51' ' ' GLU . 10.9 tttt -102.1 104.02 14.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.44 43.63 7.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.19 -32.25 5.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' LYS . 37.4 mm-40 -78.81 152.42 31.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.64 117.76 30.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.0 m -57.6 144.54 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -116.06 138.71 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.63 146.56 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.474 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -171.01 169.03 3.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.861 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.72 0.42 5.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.69 -14.03 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 61' ' ' LEU . 8.3 tt -134.99 101.9 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.5 mt -95.62 129.72 42.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 59' ' ' LEU . 79.4 mt -101.47 109.75 21.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -94.04 146.27 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -136.78 112.71 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 2.5 tp10 -87.77 -177.72 5.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -50.09 -67.41 0.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 1.2 p -117.89 1.61 12.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.509 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -126.48 147.43 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.3 mmt-85 -110.63 156.08 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -147.0 148.16 31.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 tp -121.56 102.18 8.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.2 t -98.29 141.59 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.433 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.0 mp -124.72 106.07 29.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -12.0 32.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.302 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.73 108.23 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -106.06 167.65 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -141.62 150.52 42.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.1 mt -44.6 -34.83 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.54 -37.57 82.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -28.19 54.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.6 p -58.88 126.85 29.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.84 -132.07 1.68 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -125.78 101.11 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -86.09 110.69 19.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -109.6 118.12 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.3 t -92.96 107.47 19.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -100.72 131.16 46.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.569 ' CG1' ' N ' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -106.87 -75.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.569 ' N ' ' CG1' ' A' ' 87' ' ' ILE . 2.5 t70 -116.03 -71.29 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.32 -17.64 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -105.19 168.75 8.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.0 p -144.82 149.98 36.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.467 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -104.73 135.62 45.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.6 t -88.91 119.28 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 92' ' ' ALA . 54.0 m-85 -130.02 99.7 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.0 m -82.49 124.72 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.0 t -125.02 100.42 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 90.1 m -98.96 117.48 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 65.7 t -105.73 138.14 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 32.9 p -132.92 179.56 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -79.86 135.5 55.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 167.97 22.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.236 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.406 ' O ' ' CG1' ' A' ' 105' ' ' ILE . 54.1 Cg_endo -69.75 168.69 20.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.447 ' O ' ' CG ' ' A' ' 104' ' ' ARG . 1.4 p -93.36 -178.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 103' ' ' VAL . 8.9 ptp180 45.7 38.53 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 102' ' ' PRO . 2.4 pp -133.02 23.86 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 50.1 mt -72.59 110.58 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -50.44 152.77 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.9 t -101.05 90.31 4.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -126.26 -168.72 12.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.91 23.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.2 t -123.24 124.94 44.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.6 t -112.78 144.86 41.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -128.9 80.9 2.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 62.49 42.23 8.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.17 -83.62 0.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m -131.55 168.24 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.9 m -162.66 113.35 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.06 -42.33 0.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.3 p 41.15 39.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.117 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.45 114.3 25.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.0 p -159.04 155.1 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.3 t -61.8 -63.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.7 p -125.68 113.66 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CE3' HD12 ' A' ' 87' ' ' ILE . 55.0 m95 -64.16 -52.41 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 mt -72.44 99.73 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.463 HG13 ' CA ' ' A' ' 37' ' ' LEU . 12.7 p -76.04 -24.93 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -168.32 145.65 3.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.675 0.75 . . . . 0.0 110.927 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.4 Cg_endo -69.78 165.2 77.32 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.332 -0.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.6 t -102.53 63.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.02 -148.48 20.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -93.18 148.89 21.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.2 t -135.11 141.35 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -110.19 138.38 46.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.42 122.5 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.35 123.67 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.13 175.89 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -131.28 163.7 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 -50.72 118.82 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt 65.36 38.67 5.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 9.3 tp10 -100.29 158.92 15.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -103.75 119.17 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.429 ' CG2' HD12 ' A' ' 72' ' ' LEU . 29.6 m -115.16 165.67 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.2 t -144.26 105.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -82.4 140.67 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.6 m -113.82 113.28 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.66 107.07 6.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -95.85 157.35 15.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' CA ' HG13 ' A' ' 15' ' ' VAL . 63.8 mt -129.01 156.73 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.1 p -85.08 10.32 12.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.521 ' CD ' ' CZ2' ' A' ' 41' ' ' TRP . 8.9 mmp_? -147.98 136.2 11.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -46.97 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.521 ' CZ2' ' CD ' ' A' ' 39' ' ' ARG . 2.0 p-90 -86.35 31.12 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.94 116.91 31.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -88.0 148.18 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 m -129.3 160.25 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.186 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -139.37 121.46 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.548 ' CE2' ' SG ' ' A' ' 85' ' ' CYS . 51.7 m95 -89.95 131.7 35.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.2 p -122.72 128.99 51.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -103.0 95.76 6.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.2 t70 71.13 38.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.52 -31.16 7.01 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.1 143.79 33.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.323 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -83.38 109.94 17.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 m -50.97 136.69 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 p -115.95 132.98 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -42.63 147.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.46 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -171.56 168.43 3.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.729 0.776 . . . . 0.0 110.829 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.46 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.1 Cg_endo -69.78 2.25 3.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.14 -12.71 9.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 61' ' ' LEU . 8.1 tt -135.55 105.05 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 64.4 mt -97.95 126.86 43.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 59' ' ' LEU . 79.6 mt -98.83 110.62 23.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' ARG . 63.0 mm-40 -93.01 147.31 22.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -139.47 120.15 14.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 2.3 tt0 -99.57 -174.35 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -49.57 -71.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.7 p -116.44 1.93 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.0 p -125.91 142.14 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.5 mmt-85 -111.14 156.24 21.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' GLN . 32.8 mtm180 -147.3 148.5 31.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.9 tp -121.56 108.83 14.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.5 t -104.06 137.35 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.444 ' N ' HD13 ' A' ' 72' ' ' LEU . 6.9 mp -118.5 102.31 50.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.649 0.737 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 53.2 Cg_endo -69.8 -9.12 25.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.52 105.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -102.18 171.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -139.06 144.07 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.7 mt -47.03 -36.94 8.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -67.66 -38.29 83.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.04 -37.11 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.7 p -46.46 114.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.55 -131.28 1.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -121.99 106.78 11.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -89.17 108.34 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -108.58 120.97 44.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.548 ' SG ' ' CE2' ' A' ' 46' ' ' TRP . 13.0 t -101.1 107.07 18.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -102.07 137.44 40.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.569 HD12 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.06 -55.98 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -134.98 -72.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -119.75 -16.17 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 1.3 pm0 -108.36 169.7 8.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.2 p -147.0 149.27 32.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -103.29 130.99 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.2 t -85.79 125.51 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.457 ' CE2' ' HB1' ' A' ' 92' ' ' ALA . 53.8 m-85 -133.98 100.52 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.3 m -81.5 121.0 25.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.9 t -128.36 99.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 96.1 m -103.2 117.66 35.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.6 t -98.94 148.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 45.2 p -139.91 178.6 7.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -81.87 135.14 48.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.662 0.744 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 165.26 31.51 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -180.0 3.31 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.6 t -110.73 129.84 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 104' ' ' ARG . 22.3 mtm105 -133.45 -45.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 63.9 mt -90.65 113.91 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 18.7 mt -92.63 121.04 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 72.88 54.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.2 m -42.17 -59.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 156.58 167.9 18.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 90.29 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 m -121.95 155.59 35.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 m -136.5 119.11 15.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -90.21 176.39 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -149.76 153.41 36.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.4 168.92 40.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -127.8 154.84 44.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 p -169.32 120.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.36 166.73 11.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.1 m -117.83 126.91 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 111.155 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -119.9 45.48 2.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.508 HG11 ' CE2' ' A' ' 13' ' ' TRP . 9.6 p -160.19 145.98 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.6 p -70.98 171.51 10.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.6 m -42.49 104.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.508 ' CE2' HG11 ' A' ' 10' ' ' VAL . 20.7 m95 -44.47 -59.65 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 mt -72.94 90.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG13 ' CA ' ' A' ' 37' ' ' LEU . 9.9 p -71.15 -20.1 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -171.01 145.76 1.98 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.702 0.763 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.3 Cg_endo -69.8 166.07 75.1 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.344 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -99.74 63.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.49 -151.04 22.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -88.45 146.96 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.81 135.41 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.46 140.2 38.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.01 129.57 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.9 125.95 51.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.423 ' HB2' ' CG1' ' A' ' 31' ' ' VAL . . . -126.06 177.0 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 t -132.72 154.66 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -43.42 118.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt 64.49 39.5 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 15.8 tp10 -98.72 159.73 14.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.468 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.07 104.25 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 72' ' ' LEU . 32.8 m -102.96 162.21 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.412 HG22 ' C ' ' A' ' 31' ' ' VAL . 93.4 t -142.52 106.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.8 mp -86.2 144.07 27.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.471 HG23 ' CE1' ' A' ' 16' ' ' TYR . 18.5 m -116.81 123.06 46.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.4 t -142.45 106.11 4.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' C ' HG13 ' A' ' 15' ' ' VAL . 9.7 tt0 -95.9 152.59 18.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.469 ' CA ' HG13 ' A' ' 15' ' ' VAL . 25.8 mt -125.11 156.28 38.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 t -70.92 -18.1 62.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -130.77 144.46 53.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.74 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -82.68 37.35 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.09 113.19 24.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -80.99 134.74 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG22 ' NH1' ' A' ' 68' ' ' ARG . 15.8 m -129.38 173.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.483 ' NE ' ' HB2' ' A' ' 52' ' ' GLU . 17.0 ttt180 -151.76 132.04 13.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.429 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 64.7 m95 -93.28 131.26 38.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.4 p -121.82 134.87 54.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -112.78 95.63 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 74.99 30.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.8 -33.67 6.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.49 151.75 30.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.483 ' HB2' ' NE ' ' A' ' 45' ' ' ARG . 62.7 tt0 -91.85 111.82 23.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.3 m -52.7 141.34 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.7 p -117.3 134.59 60.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -43.06 148.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.46 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -172.99 168.44 2.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.901 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.46 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.2 Cg_endo -69.69 2.67 3.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.65 2.234 . . . . 0.0 112.36 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.05 -13.8 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 61' ' ' LEU . 7.7 tt -135.07 103.85 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.3 mt -95.48 129.57 42.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 59' ' ' LEU . 84.2 mt -102.26 108.44 19.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' ARG . 91.0 mm-40 -93.68 154.02 18.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -140.4 116.32 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 5.4 tt0 -93.09 -177.86 4.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.58 -59.1 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -134.6 5.55 3.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.3 p -126.62 118.79 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.411 ' NH1' HG22 ' A' ' 44' ' ' VAL . 18.4 mmt85 -82.35 143.7 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 62' ' ' GLN . 38.1 mtm180 -131.17 141.16 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.4 tp -115.73 100.01 7.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 78.6 t -98.49 136.89 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -120.1 108.27 38.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -10.5 28.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.24 106.54 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.156 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 m -101.22 174.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -142.63 145.98 34.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -47.4 -36.47 9.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.4 -37.76 80.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -55.69 -33.45 64.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.9 p -56.4 114.8 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -163.16 -118.24 0.44 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -132.83 99.9 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -85.19 107.12 17.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -107.73 116.26 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.429 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 18.2 t -95.12 107.22 19.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -101.38 140.48 35.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.5 HD11 ' CD2' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -112.43 -60.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -134.96 -72.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -119.89 -9.38 9.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -112.43 168.02 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.5 p -147.19 142.92 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.72 128.07 51.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.8 t -85.95 125.3 33.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -131.56 99.97 4.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.3 m -80.43 124.45 28.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.2 t -128.49 92.49 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.5 m -91.05 122.79 34.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.07 143.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.3 p -133.29 173.51 11.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -75.38 132.84 75.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 162.91 40.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.242 . . . . 0.0 112.35 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -178.88 2.58 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.225 . . . . 0.0 112.335 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.59 134.21 44.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -119.58 -58.78 1.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.5 tt -77.02 82.73 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 107' ' ' TYR . 27.9 mt -67.72 -44.82 85.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.448 ' C ' ' O ' ' A' ' 106' ' ' ILE . 8.9 t80 -34.45 -44.16 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.9 t -120.8 152.27 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -121.33 152.36 16.83 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 120.87 7.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.739 2.293 . . . . 0.0 112.328 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.4 p -47.74 144.13 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.5 t -46.69 -52.78 13.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -44.96 125.53 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.856 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -56.33 171.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -82.37 -87.26 0.73 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 27.9 t -37.39 -55.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 p -174.1 140.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.42 -137.51 2.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 m -89.61 93.31 9.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.761 0.315 . . . . 0.0 111.137 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -109.17 107.84 18.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.7 174.55 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 t -86.8 -53.3 5.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 p -143.33 115.92 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.564 ' CE3' HD13 ' A' ' 87' ' ' ILE . 56.5 m95 -66.33 -52.98 41.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.418 ' CD1' ' C ' ' A' ' 91' ' ' SER . 15.5 mt -71.19 102.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.41 HG13 ' C ' ' A' ' 36' ' ' GLU . 11.1 p -79.34 -28.95 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -160.3 146.42 11.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.655 0.741 . . . . 0.0 110.963 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.9 Cg_endo -69.8 164.77 78.5 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.36 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -100.65 63.31 1.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.29 -153.27 25.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -91.0 143.63 26.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -130.73 129.02 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -100.04 135.29 41.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.1 t -139.78 132.13 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.27 127.4 54.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.446 ' HB1' ' CG1' ' A' ' 31' ' ' VAL . . . -123.86 176.99 5.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.18 158.03 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -42.71 111.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 mt 67.69 45.36 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 30.8 tp10 -100.37 160.18 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -102.26 101.56 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.446 ' CG1' ' HB1' ' A' ' 25' ' ' ALA . 19.2 m -100.0 157.76 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -139.94 105.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mp -89.68 131.92 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.2 m -107.54 119.41 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.402 ' C ' HG22 ' A' ' 67' ' ' VAL . 2.6 t -137.89 108.77 6.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' C ' HG13 ' A' ' 15' ' ' VAL . 9.9 tt0 -96.19 161.32 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.4 mt -134.05 154.29 51.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.0 p -79.22 2.98 19.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.552 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.3 mmt180 -142.34 138.0 16.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 54.0 Cg_endo -69.75 -50.43 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.296 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.552 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.6 p-90 -84.15 30.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.82 114.05 26.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -80.93 138.24 36.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.5 m -123.27 166.79 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.443 ' NH1' ' OE1' ' A' ' 52' ' ' GLU . 54.1 ttm-85 -150.48 126.65 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -92.65 141.77 28.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.3 p -136.08 130.63 33.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -106.43 100.53 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.2 t0 74.09 25.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.96 -33.87 6.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -80.97 147.0 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' OE1' ' NH1' ' A' ' 45' ' ' ARG . 8.6 tt0 -82.94 125.04 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 m -64.88 135.33 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.0 141.22 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -48.19 148.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.528 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 1.1 p -171.52 166.71 4.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.528 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 54.2 Cg_endo -69.78 4.31 2.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.627 2.218 . . . . 0.0 112.382 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.68 -4.11 8.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' A' ' 61' ' ' LEU . 8.1 tt -143.39 104.97 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 mt -99.79 126.3 45.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.46 ' CD2' HD21 ' A' ' 59' ' ' LEU . 76.5 mt -95.21 112.75 24.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -101.39 151.07 22.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -139.65 119.74 13.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 2.1 tp10 -94.23 179.44 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -38.82 -65.83 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.464 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 1.0 OUTLIER -127.96 4.69 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.514 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.2 p -125.25 123.65 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -86.96 148.76 25.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -138.19 142.34 40.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.411 ' CD1' HD11 ' A' ' 72' ' ' LEU . 5.8 tp -115.44 107.16 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.5 t -104.28 137.35 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 72' ' ' LEU . 7.0 mp -123.17 105.38 34.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -14.49 36.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.56 105.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -101.92 178.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -149.16 156.03 41.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.8 mt -53.79 -30.27 44.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -79.32 -25.03 42.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -78.31 5.54 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 t -95.98 154.51 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 154.66 -117.83 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -129.4 106.09 8.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -87.84 107.03 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -104.76 122.87 46.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 21.3 t -101.25 107.44 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -101.22 134.86 43.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.564 HD13 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.55 -58.63 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.532 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 5.6 t0 -135.01 -72.23 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -118.64 -24.13 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -101.94 169.55 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.418 ' C ' ' CD1' ' A' ' 14' ' ' ILE . 57.9 p -144.46 151.09 38.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.53 136.7 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 t -92.3 122.97 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -135.01 100.19 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.8 m -81.76 120.5 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.0 t -128.59 94.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 97.3 m -91.7 122.86 34.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 99' ' ' THR . 72.5 t -104.54 142.95 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.407 ' N ' HG13 ' A' ' 98' ' ' VAL . 34.9 p -141.11 173.66 11.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -76.25 134.47 70.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.74 40.92 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 173.15 11.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.5 p -83.85 131.68 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -133.96 -74.95 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 8.6 mm -115.46 49.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.1 tt -54.88 160.02 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -123.56 -49.93 1.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.3 p 40.62 41.75 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.82 -102.0 2.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 160.49 49.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.4 p 38.33 43.28 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 113' ' ' GLY . 80.5 p -62.54 -45.46 92.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 112' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -155.55 159.58 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -152.29 169.09 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.78 98.83 0.6 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 m -39.39 127.03 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -132.45 154.65 49.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.29 98.94 0.78 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 t -166.69 114.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.333 . . . . 0.0 111.118 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.23 105.54 1.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.8 p -160.23 149.25 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.4 p -108.5 -54.35 2.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -128.91 105.29 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.522 ' CE3' HD12 ' A' ' 87' ' ' ILE . 61.8 m95 -50.47 -56.59 10.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.4 mt -66.44 94.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.419 HG12 ' C ' ' A' ' 36' ' ' GLU . 14.2 p -70.18 -33.53 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -156.67 145.98 15.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.897 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.0 Cg_endo -69.75 171.56 53.07 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.372 -0.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t -104.41 63.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.96 -151.35 22.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -89.57 145.84 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.7 t -134.13 139.62 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -107.81 139.22 42.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -142.08 131.26 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.2 138.68 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.468 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . . . -136.21 177.1 8.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 t -138.32 159.63 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.464 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 2.0 tpt180 -45.29 111.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt 68.01 44.68 1.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 23.6 tp10 -100.29 162.53 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.468 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 4.0 tmt_? -106.9 103.11 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 25' ' ' ALA . 34.2 m -101.07 162.21 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.3 t -141.08 105.44 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 mp -83.78 134.9 34.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.949 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.1 m -108.51 113.21 26.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 t -137.35 105.08 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.0 tt0 -95.74 161.1 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.2 mt -130.57 161.29 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 t -84.94 8.24 18.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.567 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 18.1 mmt180 -148.68 140.15 14.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.587 0.708 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.567 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.1 p-90 -83.51 26.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.18 110.62 21.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.062 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -80.76 143.43 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.3 m -126.17 163.3 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 -139.88 129.74 24.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.436 ' HB2' ' CG2' ' A' ' 53' ' ' VAL . 75.9 m95 -95.78 143.07 27.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.7 p -140.79 132.82 27.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 51' ' ' GLU . 24.5 tttm -106.82 108.4 19.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.6 t70 59.49 48.93 9.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 -29.69 4.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.441 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' LYS . 23.7 mt-10 -82.85 161.74 21.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -98.83 134.16 42.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.436 ' CG2' ' HB2' ' A' ' 46' ' ' TRP . 33.8 m -78.67 131.96 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -109.03 137.51 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -44.87 147.96 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.431 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.38 167.13 4.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.699 0.761 . . . . 0.0 110.835 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.431 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.4 Cg_endo -69.74 3.61 2.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.53 -11.81 8.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.427 HD22 ' CD2' ' A' ' 61' ' ' LEU . 8.1 tt -134.99 98.93 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 64.5 mt -93.17 126.56 38.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.427 ' CD2' HD22 ' A' ' 59' ' ' LEU . 82.0 mt -96.79 112.6 24.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 69' ' ' ARG . 69.1 mm-40 -98.38 148.28 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.51 125.66 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 5.2 tt0 -101.36 -174.91 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -48.85 -71.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 p -114.89 -0.33 13.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.509 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -125.03 143.94 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -107.06 156.12 19.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 62' ' ' GLN . 35.6 mtm180 -143.18 145.58 32.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 tp -119.46 99.61 6.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 77.8 t -95.9 137.98 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.446 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -122.62 104.23 36.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.43 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 54.2 Cg_endo -69.72 -11.8 31.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.34 107.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -105.5 172.02 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -142.56 144.26 32.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 ' HG ' ' CD ' ' A' ' 27' ' ' ARG . 48.3 mt -45.71 -35.32 4.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -67.13 -39.78 86.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.11 -34.5 66.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.9 p -49.67 124.68 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.53 -124.57 0.85 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -130.19 103.48 6.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -83.95 107.29 16.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.94 127.91 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.9 t -111.07 107.17 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.56 137.81 39.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.522 HD12 ' CE3' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -110.43 -55.43 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -134.96 -72.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -119.41 -24.47 6.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -101.46 169.02 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.7 p -145.04 148.77 34.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.37 135.98 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -93.69 128.11 39.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -134.8 99.87 4.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.4 m -80.37 124.82 29.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.9 t -130.7 96.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.3 m -93.41 116.15 28.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 99' ' ' THR . 48.9 t -99.65 139.07 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.418 ' N ' HG13 ' A' ' 98' ' ' VAL . 23.8 p -131.73 -178.79 5.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -86.21 137.1 35.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.7 65.44 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.402 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 174.47 9.44 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.274 . . . . 0.0 112.299 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.76 116.37 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -124.19 -61.29 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.3 tt -76.54 115.48 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.17 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 78.0 mt -114.93 110.57 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -71.23 163.45 27.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 109' ' ' GLY . 57.5 p -124.1 153.13 41.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 108' ' ' SER . . . -36.39 125.29 0.91 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 1.09 4.77 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.315 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.4 p -104.42 -46.21 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 80.9 p -144.24 113.28 6.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -81.02 -62.22 1.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 110.856 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -139.13 157.98 45.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.4 95.98 0.36 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.433 ' HB3' ' CZ3' ' A' ' 41' ' ' TRP . 57.8 m -102.24 125.3 48.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -116.37 110.42 18.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.26 -178.96 19.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -63.76 156.7 26.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 111.159 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -47.59 106.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.441 HG21 ' CE2' ' A' ' 13' ' ' TRP . 27.3 m -82.46 83.43 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' VAL . 16.2 m -37.4 -52.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.9 p -143.5 117.27 9.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.549 ' CE3' HD13 ' A' ' 87' ' ' ILE . 59.1 m95 -64.23 -48.87 74.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.2 mt -74.28 101.99 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.37 -30.75 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -162.09 145.17 8.99 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.696 0.76 . . . . 0.0 110.896 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.6 Cg_endo -69.76 167.41 71.11 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.348 -0.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.9 p -112.47 66.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.41 -131.34 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -107.91 145.4 33.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.0 t -134.56 116.26 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -98.67 135.0 40.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -138.51 139.72 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.28 134.74 54.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HB1' ' CG1' ' A' ' 31' ' ' VAL . . . -134.68 173.24 11.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 t -129.35 160.61 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 7.1 tpt180 -47.31 119.29 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 mt 64.32 40.59 6.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 35.7 tp10 -102.44 159.65 15.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.462 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.38 119.14 38.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.447 ' CG2' HD13 ' A' ' 72' ' ' LEU . 22.4 m -115.93 165.75 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -144.04 105.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 mp -81.9 142.51 32.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 m -113.37 114.82 27.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -139.03 106.15 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -95.76 156.26 16.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.418 HD13 ' CG1' ' A' ' 44' ' ' VAL . 31.3 mt -128.4 159.51 35.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.76 13.04 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 22.4 mmt180 -150.04 138.56 12.44 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.566 0.698 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 41' ' ' TRP . 53.5 Cg_endo -69.8 -47.48 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.313 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.521 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.5 p-90 -88.43 33.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.61 110.33 21.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -83.25 129.82 35.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' CG1' HD13 ' A' ' 37' ' ' LEU . 14.7 m -116.78 164.21 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -144.6 123.4 12.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 85' ' ' CYS . 42.6 m95 -90.01 134.82 34.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.7 p -125.27 131.19 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -101.04 93.68 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 73.55 36.6 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.48 -29.37 9.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -80.96 143.98 32.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -83.96 112.47 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 m -52.55 145.8 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 55' ' ' GLU . 7.1 p -121.31 123.12 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.4 mt-10 -35.49 147.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.494 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -171.88 167.11 3.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.748 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.74 6.28 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.46 -13.97 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.48 HD22 ' CD2' ' A' ' 61' ' ' LEU . 7.2 tt -134.97 99.8 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.458 ' CD1' ' HG3' ' A' ' 73' ' ' PRO . 52.1 mt -93.5 125.86 38.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.48 ' CD2' HD22 ' A' ' 59' ' ' LEU . 59.3 mt -96.69 112.07 23.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 57.1 mm-40 -93.22 146.77 23.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HG3' ' C ' ' A' ' 62' ' ' GLN . 37.5 mttt -140.77 117.47 10.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 4.1 tt0 -96.82 -174.76 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -50.71 -71.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 p -115.15 2.78 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.6 p -127.21 142.29 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.461 ' N ' HG22 ' A' ' 67' ' ' VAL . 24.5 mmt85 -112.0 155.07 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -146.64 150.28 35.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 tp -121.14 106.11 11.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.415 ' C ' HD11 ' A' ' 72' ' ' LEU . 92.0 t -101.4 136.71 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.447 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.7 mp -119.7 102.03 47.69 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.603 0.716 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.458 ' HG3' ' CD1' ' A' ' 60' ' ' LEU . 53.6 Cg_endo -69.76 -8.69 24.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.37 105.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.1 m -102.71 178.33 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -147.54 150.52 34.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.4 ' HG ' ' CD ' ' A' ' 27' ' ' ARG . 61.0 mt -52.86 -34.87 56.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.12 -37.27 75.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.17 -35.4 67.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.4 p -47.44 117.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.39 -132.47 1.45 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.99 105.14 10.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -86.36 107.4 17.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -107.83 120.32 41.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 11.4 t -98.46 107.15 19.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -100.79 136.7 40.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.549 HD13 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -111.06 -57.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.47 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 7.7 t0 -135.0 -72.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -118.45 -24.48 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -102.75 170.35 8.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.2 p -146.03 151.47 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.417 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . . . -103.51 129.66 50.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.2 t -85.78 124.7 32.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 92' ' ' ALA . 44.5 m-85 -134.1 99.91 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.24 25.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.0 t -126.73 105.32 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 80.9 m -104.97 124.45 49.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 57.5 t -106.25 149.71 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.1 p -143.31 179.97 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -83.55 136.21 42.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 162.75 40.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 179.12 3.9 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.382 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.6 t -119.33 130.45 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -115.6 -51.07 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.9 pt -127.54 155.79 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 66.7 mt -130.31 145.3 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -156.22 123.32 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.6 t -80.1 -54.98 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.16 140.94 1.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 129.22 17.25 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 0.0 112.317 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 m -89.1 166.49 13.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 99.0 p -75.04 -50.7 15.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.51 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p -119.11 167.4 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -94.56 157.49 15.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.6 47.42 0.68 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p -120.66 127.72 52.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 p -81.28 -60.55 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.36 179.51 20.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.6 p -87.43 151.95 22.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 111.153 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -87.75 88.26 7.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.43 167.6 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.0 m -98.64 -58.03 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 p -114.88 102.74 10.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 88' ' ' ASP . 39.4 m95 -54.18 -57.37 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.469 HD11 ' CB ' ' A' ' 90' ' ' GLU . 12.3 mt -74.69 90.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.445 HG11 ' CA ' ' A' ' 37' ' ' LEU . 10.8 p -68.43 -21.48 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.557 ' CG ' ' HA ' ' A' ' 17' ' ' PRO . 1.3 t80 -174.31 145.0 0.99 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.675 0.75 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.557 ' HA ' ' CG ' ' A' ' 16' ' ' TYR . 54.0 Cg_endo -69.81 163.95 80.64 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.353 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -109.74 66.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.52 172.62 14.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 130.05 23.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.356 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 22' ' ' TYR . 89.4 t -111.66 139.48 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.477 ' N ' HG13 ' A' ' 21' ' ' VAL . 12.8 m-85 -121.51 134.2 55.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -145.38 141.52 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.63 142.27 46.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.83 176.8 8.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -133.07 160.6 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -48.33 114.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 mt 69.84 43.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 5.3 tp10 -103.25 162.03 13.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.469 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.42 110.11 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.433 ' CG2' HD11 ' A' ' 72' ' ' LEU . 34.4 m -108.79 162.85 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.425 HG21 ' C ' ' A' ' 31' ' ' VAL . 90.2 t -142.3 105.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.474 ' HG ' ' CD2' ' A' ' 94' ' ' PHE . 4.3 mp -83.18 132.93 35.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.3 m -106.84 113.62 27.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.38 105.23 6.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.421 ' C ' HG11 ' A' ' 15' ' ' VAL . 12.6 tt0 -95.83 152.67 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.445 ' CA ' HG11 ' A' ' 15' ' ' VAL . 50.2 mt -125.65 154.2 42.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 p -81.71 5.8 17.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.548 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 11.1 mmt180 -142.76 137.83 15.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.853 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.68 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.548 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.8 p-90 -83.41 21.39 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.81 112.91 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -86.07 140.38 30.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' CG1' HD12 ' A' ' 37' ' ' LEU . 16.4 m -127.27 165.24 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -147.38 125.8 12.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.55 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 52.1 m95 -87.89 133.47 33.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.3 p -122.37 131.36 53.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.516 ' HD2' ' CZ ' ' A' ' 83' ' ' TYR . 14.5 tttt -106.26 97.31 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 71.68 34.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.93 -27.25 17.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -83.41 151.66 25.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -87.45 115.91 25.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -45.01 149.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 9.8 p -125.57 113.19 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' VAL . 6.0 mt-10 -33.77 147.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.461 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -170.29 168.46 4.22 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.664 0.745 . . . . 0.0 110.865 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.1 Cg_endo -69.79 1.28 4.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.82 -10.1 10.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.444 HD22 ' CD2' ' A' ' 61' ' ' LEU . 6.8 tt -138.44 111.29 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.6 mt -105.1 125.76 51.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.444 ' CD2' HD22 ' A' ' 59' ' ' LEU . 62.4 mt -96.01 111.19 23.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' ARG . 75.7 mm-40 -94.97 150.93 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.408 ' HG3' ' C ' ' A' ' 62' ' ' GLN . 46.9 mttt -144.79 117.25 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -96.49 -174.37 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -48.41 -71.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 p -116.94 3.74 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.8 p -126.98 133.62 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.422 ' N ' HG23 ' A' ' 67' ' ' VAL . 65.0 mmt-85 -106.66 151.21 25.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 62' ' ' GLN . 58.4 mtm180 -144.21 150.89 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.2 tp -121.03 101.67 7.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.411 ' C ' HD12 ' A' ' 72' ' ' LEU . 92.6 t -95.86 143.92 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.433 HD11 ' CG2' ' A' ' 31' ' ' VAL . 7.1 mp -126.18 107.43 24.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.17 34.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -164.66 107.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -102.66 175.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -144.53 150.98 38.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.57 -33.48 46.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -35.3 75.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.82 -34.67 74.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -50.37 118.8 3.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.69 -124.24 0.7 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -131.67 100.0 4.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.516 ' CZ ' ' HD2' ' A' ' 48' ' ' LYS . 16.0 m-85 -83.93 111.16 19.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -110.45 110.02 20.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.55 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 35.0 t -88.51 106.16 18.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.74 155.43 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.554 HD13 ' CE3' ' A' ' 13' ' ' TRP . 0.5 OUTLIER -130.19 -74.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.567 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 3.7 t70 -123.68 -71.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -121.73 -10.48 8.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.469 ' CB ' HD11 ' A' ' 14' ' ' ILE . 70.1 mt-10 -107.53 169.52 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 p -147.16 137.97 23.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.47 122.97 46.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 t -85.77 131.37 34.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.474 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 20.1 m-85 -135.01 99.58 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.6 m -80.04 103.48 9.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.08 98.54 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.5 m -95.58 135.83 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 19.1 t -117.33 135.62 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.6 p -125.54 -179.72 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -85.85 136.48 36.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 155.77 65.14 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.713 2.275 . . . . 0.0 112.338 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -178.65 2.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.9 p -60.41 119.07 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 105' ' ' ILE . 4.7 tpm_? -107.54 151.21 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.46 ' N ' ' HG3' ' A' ' 104' ' ' ARG . 55.0 mt -56.55 107.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.7 pp -105.93 159.21 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -120.27 175.03 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 m -62.81 103.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 126.9 82.1 0.4 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 160.66 48.86 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -86.06 177.08 7.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.6 t -128.7 165.59 20.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -170.27 124.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -141.37 137.72 32.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.44 131.37 5.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -70.08 145.59 51.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.94 0.4 . . . . 0.0 110.791 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.5 p -89.44 42.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.29 70.76 0.45 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -83.21 135.28 34.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.317 . . . . 0.0 111.154 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -113.46 99.59 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.9 t -97.89 120.86 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -74.54 -51.66 14.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 p -151.72 113.69 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.524 ' CE3' HD11 ' A' ' 87' ' ' ILE . 37.3 m95 -60.2 -57.25 13.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.9 mt -76.06 102.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.427 HG12 ' CA ' ' A' ' 37' ' ' LEU . 12.0 p -80.0 -22.57 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.553 ' HA ' ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -168.6 144.19 2.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.73 165.55 76.26 Favored 'Cis proline' 0 C--O 1.231 0.144 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.322 -0.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -99.29 62.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.54 -150.83 22.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -89.63 148.44 23.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 22' ' ' TYR . 69.7 t -135.12 148.25 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.453 ' N ' HG12 ' A' ' 21' ' ' VAL . 3.3 m-85 -115.3 138.69 50.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.409 HG21 ' C ' ' A' ' 22' ' ' TYR . 23.0 t -143.18 128.13 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.93 145.25 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HB1' ' CG1' ' A' ' 31' ' ' VAL . . . -145.25 176.26 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.2 t -136.08 160.63 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 ttp85 -45.39 111.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt 68.72 44.18 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 9.5 tp10 -99.33 162.17 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -105.21 104.49 14.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.467 ' CG1' ' HB1' ' A' ' 25' ' ' ALA . 19.3 m -105.57 159.07 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.3 t -141.76 105.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mp -84.54 140.67 31.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.0 m -113.32 119.42 37.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.41 ' C ' HG22 ' A' ' 67' ' ' VAL . 3.5 t -138.25 106.82 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.8 tt0 -95.93 154.89 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.427 ' CA ' HG12 ' A' ' 15' ' ' VAL . 32.8 mt -129.43 155.01 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.9 p -78.97 2.54 19.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.556 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 39.3 mmt-85 -139.5 136.49 17.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 53.5 Cg_endo -69.78 -51.09 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.363 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.556 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.3 p-90 -84.16 29.25 0.57 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.404 ' HB2' ' CB ' ' A' ' 39' ' ' ARG . . . -88.91 109.91 20.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.16 136.31 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.1 m -123.77 175.62 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -154.25 125.32 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.477 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 60.2 m95 -86.3 134.06 33.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.8 p -129.0 128.51 43.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 51' ' ' GLU . 17.0 tttm -101.52 100.78 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 64.35 43.46 4.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.6 -33.0 4.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.444 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 48' ' ' LYS . 19.8 mt-10 -78.38 149.04 33.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.72 128.61 36.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.03 140.6 18.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -118.98 128.68 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -39.94 145.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.443 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -167.67 168.01 6.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.701 0.762 . . . . 0.0 110.867 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.0 Cg_endo -69.78 3.3 2.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.722 2.281 . . . . 0.0 112.291 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.46 -3.26 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.2 tt -143.73 105.02 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -98.89 130.13 45.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.1 mt -99.69 111.69 24.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' ARG . 64.2 mm-40 -93.35 148.48 22.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.78 120.29 12.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.466 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 1.1 tp10 -98.85 -176.43 3.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -43.85 -71.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.471 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 0.8 OUTLIER -120.29 6.19 10.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.7 p -127.34 131.55 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -95.47 153.97 17.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 62' ' ' GLN . 26.9 mtt180 -143.43 147.44 34.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.9 tp -119.88 107.51 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 52.9 t -104.65 136.0 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.45 HD12 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -121.0 107.29 37.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.591 0.71 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -15.11 37.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.372 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.23 106.74 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -104.88 159.87 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -132.42 149.89 52.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.3 mt -49.21 -28.19 4.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -68.26 -34.58 76.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -36.78 77.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.9 p -43.32 115.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.07 -127.53 0.99 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -133.22 104.9 6.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -84.73 109.65 18.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.42 113.54 26.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.477 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 44.1 t -94.37 106.89 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -96.01 149.57 21.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.524 HD11 ' CE3' ' A' ' 13' ' ' TRP . 0.7 OUTLIER -123.92 -70.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.449 ' CB ' ' NE1' ' A' ' 13' ' ' TRP . 4.7 t0 -124.61 -72.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -121.63 -15.11 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -106.01 174.37 5.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.4 p -147.72 146.66 29.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.71 128.5 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.2 t -87.4 130.9 34.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -139.93 104.97 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.2 m -86.34 120.28 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 68.3 t -125.84 105.07 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 83.1 m -102.92 119.55 39.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.5 t -102.03 145.91 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.7 p -136.78 -176.84 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -90.16 134.98 30.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.74 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 161.46 45.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 177.81 5.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.365 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.26 141.97 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.0 mmt-85 -131.69 -59.31 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.6 pp -141.64 148.13 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.4 mt -127.69 105.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -146.47 154.12 41.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.9 t -52.01 136.18 29.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.72 101.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 137.3 35.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.4 t -146.39 109.11 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 t -59.2 155.0 15.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.52 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -51.66 158.88 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -147.4 165.01 31.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.21 -119.1 0.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -64.46 -49.64 70.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.379 . . . . 0.0 110.88 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 t -67.83 154.44 41.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.28 98.96 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.4 t -91.98 139.71 30.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.16 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -96.66 43.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 11' ' ' SER . 7.2 p -95.64 -34.62 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 10' ' ' VAL . 66.2 m 34.27 47.99 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.5 m -154.62 125.77 7.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.811 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.57 ' CD1' ' HB3' ' A' ' 88' ' ' ASP . 71.5 m95 -85.45 -49.72 7.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.65 94.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.53 -29.09 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -161.26 145.87 10.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.2 Cg_endo -69.68 172.38 48.97 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.385 -0.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p -106.65 64.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.62 -145.4 15.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -96.8 145.59 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.6 t -134.04 133.97 55.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -103.5 139.49 38.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.3 t -142.51 132.42 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.51 133.88 50.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . . . -129.66 176.57 7.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -136.92 158.15 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -43.78 112.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt 65.74 46.01 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 17.8 tp10 -101.36 160.03 14.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.462 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.88 101.84 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 25' ' ' ALA . 17.5 m -100.16 159.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.419 HG23 ' C ' ' A' ' 31' ' ' VAL . 97.4 t -142.05 106.94 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD21 ' CZ3' ' A' ' 46' ' ' TRP . 5.1 mp -85.36 137.9 32.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.418 HG22 ' CE1' ' A' ' 16' ' ' TYR . 6.5 m -110.2 114.41 27.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -138.39 108.79 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -95.61 165.62 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.435 HD13 ' CG1' ' A' ' 44' ' ' VAL . 43.6 mt -136.57 160.76 37.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.3 p -87.68 8.19 26.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.574 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.1 mmt180 -146.51 139.73 14.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 0.0 110.844 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -50.46 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.319 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.574 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.2 p-90 -84.1 29.15 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.02 109.77 21.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -85.19 144.87 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.435 ' CG1' HD13 ' A' ' 37' ' ' LEU . 21.5 m -121.2 165.09 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -139.91 118.92 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.504 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 59.8 m95 -89.81 132.28 35.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.9 p -125.93 131.43 52.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -102.87 93.59 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 74.92 25.07 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.21 -33.55 6.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.08 141.96 36.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -79.51 121.79 25.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 m -63.51 135.72 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.88 140.76 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -51.09 148.2 4.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.433 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.4 167.49 3.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.863 -179.764 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.5 Cg_endo -69.76 4.5 2.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.47 -6.44 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.473 HD23 ' CD2' ' A' ' 61' ' ' LEU . 7.8 tt -141.92 105.0 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 69.6 mt -97.85 127.87 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' CD2' HD23 ' A' ' 59' ' ' LEU . 78.7 mt -99.91 110.45 22.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -91.87 147.83 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -139.51 115.95 10.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.958 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 4.7 tt0 -93.02 -175.41 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.52 -66.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 p -119.55 -0.78 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.4 p -123.53 145.52 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.1 mmt-85 -112.54 156.09 23.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -147.4 147.12 29.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.422 HD11 ' CD1' ' A' ' 72' ' ' LEU . 5.8 tp -116.6 106.36 13.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.1 t -102.85 134.03 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.422 ' CD1' HD11 ' A' ' 70' ' ' LEU . 7.2 mp -118.78 107.62 42.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -14.74 36.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.358 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.01 106.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.96 169.8 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -137.44 142.78 41.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.1 mt -44.81 -38.38 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -36.2 83.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -56.25 -36.11 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.7 p -44.88 114.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.12 -139.48 2.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -116.26 101.19 8.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -83.92 103.25 13.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.87 125.42 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.504 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 43.8 t -101.85 107.43 18.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -102.37 129.96 48.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.552 HD13 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -105.64 -67.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.57 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 1.9 t70 -122.74 -71.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -122.21 -22.06 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -100.26 168.47 9.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.7 p -145.79 146.9 31.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -104.32 133.14 49.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -89.59 125.23 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -133.77 99.99 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.7 m -80.28 122.94 27.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 82.7 t -127.04 95.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.7 m -93.93 116.14 28.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.425 HG11 ' N ' ' A' ' 99' ' ' THR . 58.8 t -101.33 137.82 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.425 ' N ' HG11 ' A' ' 98' ' ' VAL . 22.5 p -132.83 178.14 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -80.58 137.38 51.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.63 30.31 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.38 21.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.58 142.24 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' ILE . 53.4 mtt180 -135.72 141.93 44.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 104' ' ' ARG . 80.5 mt -37.02 125.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 64.8 mt -67.38 124.27 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -117.89 -48.36 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.0 t -149.11 159.93 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 151.89 84.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 141.15 44.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.4 p -63.17 101.87 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.4 t -68.36 128.02 35.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -72.87 166.23 23.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 0.0 110.842 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 m -75.83 145.74 40.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.7 170.46 32.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -105.21 -58.22 1.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m 59.56 41.94 18.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.87 96.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 m -134.1 98.83 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 111.162 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 40.26 41.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.1 p -88.59 154.91 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 12' ' ' SER . 20.9 m -88.21 176.79 7.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' SER . 3.9 m -36.64 102.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.564 ' CE3' HD13 ' A' ' 87' ' ' ILE . 61.8 m95 -41.51 -55.13 2.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.1 mt -71.41 92.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.417 HG13 ' C ' ' A' ' 36' ' ' GLU . 9.7 p -69.41 -28.9 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -164.4 145.65 6.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.752 0.787 . . . . 0.0 110.886 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.76 165.51 76.44 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.34 -0.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -109.92 66.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.37 -151.56 23.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -87.46 145.8 26.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.6 t -135.04 123.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -101.52 137.7 39.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.8 t -142.39 128.15 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.32 123.83 50.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.424 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . . . -122.96 172.78 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.433 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 1.5 t -124.41 158.6 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -45.17 121.59 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt 62.59 35.46 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 11.1 tp10 -96.66 155.92 16.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -100.73 121.44 41.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.469 ' CG2' HD13 ' A' ' 72' ' ' LEU . 27.1 m -118.01 165.19 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -144.46 106.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.403 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.4 mp -83.85 140.54 31.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.0 m -112.49 118.28 34.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.5 t -140.25 105.95 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' C ' HG13 ' A' ' 15' ' ' VAL . 19.1 tt0 -95.87 160.9 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.441 HD12 ' CG1' ' A' ' 44' ' ' VAL . 33.6 mt -132.13 155.58 47.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.1 t -80.61 4.73 17.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.525 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 26.9 mmt180 -144.51 138.9 15.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.452 ' HA ' ' CG2' ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.74 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.525 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.0 p-90 -84.77 30.94 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -95.29 110.8 22.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.065 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HA ' ' NH2' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -83.36 145.87 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.441 ' CG1' HD12 ' A' ' 37' ' ' LEU . 16.9 m -130.24 164.65 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -142.88 123.96 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 55.0 m95 -88.58 130.34 35.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.2 p -122.86 128.01 49.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -102.22 93.53 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 71.53 38.7 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.64 -32.79 5.97 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.436 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -79.29 145.98 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -86.08 118.65 25.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.4 m -56.2 139.28 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.75 126.35 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -38.6 147.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.443 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.31 167.77 4.52 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.655 0.741 . . . . 0.0 110.882 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.9 Cg_endo -69.73 2.38 3.56 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.73 2.287 . . . . 0.0 112.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.09 -8.97 9.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.462 HD22 ' CD2' ' A' ' 61' ' ' LEU . 8.0 tt -138.82 106.34 5.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.6 mt -98.28 128.51 44.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.462 ' CD2' HD22 ' A' ' 59' ' ' LEU . 67.8 mt -99.6 108.86 21.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -91.9 146.25 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -137.22 119.67 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 4.3 tt0 -96.75 -175.61 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.34 -65.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 40' ' ' PRO . 1.3 p -122.62 0.19 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.4 p -123.12 140.97 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.432 ' NH1' HG23 ' A' ' 44' ' ' VAL . 17.7 mmt85 -107.13 154.88 20.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -146.9 146.66 30.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 tp -118.71 111.95 19.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.7 t -108.29 134.77 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.469 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.1 mp -117.83 104.49 48.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -11.28 30.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.726 2.284 . . . . 0.0 112.35 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.15 105.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.1 m -100.58 177.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -146.86 145.52 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.7 mt -48.76 -31.85 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -69.82 -38.39 76.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -55.27 -35.81 65.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.6 p -44.96 115.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.46 -128.14 0.96 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -130.96 103.08 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.392 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -83.9 108.08 16.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -108.3 115.06 29.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.565 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 42.7 t -95.93 107.2 19.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -102.17 141.13 35.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.564 HD13 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -112.07 -57.99 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -134.98 -72.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -119.39 -16.36 8.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.517 ' CD ' ' N ' ' A' ' 90' ' ' GLU . 4.0 mp0 -106.27 168.13 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.1 p -147.19 144.9 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.42 127.05 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.1 t -85.6 128.5 34.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -133.9 100.08 4.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.7 m -79.74 118.08 21.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.5 t -126.41 101.22 7.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 63.7 m -102.87 119.65 39.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.7 t -97.78 150.38 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -141.67 178.79 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -85.29 133.25 42.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.59 18.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -178.85 2.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.9 p -107.96 120.47 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -141.84 107.09 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.6 mt 49.53 50.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 93.4 mt -118.67 99.04 7.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -58.24 141.68 49.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.1 m -83.3 82.57 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.812 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.52 92.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.12 35.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.732 2.288 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.1 m -134.75 106.83 7.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.6 t -71.42 80.89 0.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.725 ' HB3' HD13 ' A' ' 87' ' ' ILE . 68.3 m95 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.767 0.318 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.1 mt -74.45 94.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.4 p -74.05 -28.65 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -163.79 145.26 7.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.732 0.777 . . . . 0.0 110.898 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.0 Cg_endo -69.74 169.41 63.39 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.342 -0.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.4 t -104.57 64.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.11 -154.13 24.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -87.27 144.9 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.8 t -132.92 134.2 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -104.54 132.46 50.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.5 t -135.18 128.33 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.72 122.28 46.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.526 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -121.83 172.54 8.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -127.92 154.03 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -44.21 118.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.3 mt 65.76 38.63 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 26.2 tp10 -100.56 157.92 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -100.24 105.94 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.526 HG11 ' HB2' ' A' ' 25' ' ' ALA . 32.9 m -105.65 161.08 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 71' ' ' VAL . 94.2 t -141.77 106.59 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.722 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.1 mp -82.42 137.98 34.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.491 HG22 ' CE1' ' A' ' 16' ' ' TYR . 21.4 m -109.77 112.71 24.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -139.32 105.12 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' O ' HD23 ' A' ' 37' ' ' LEU . 9.6 tt0 -95.83 164.38 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.81 HD11 ' CG1' ' A' ' 44' ' ' VAL . 25.5 mt -135.63 159.32 41.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -86.42 10.07 16.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.605 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 61.6 mmt-85 -146.7 135.63 11.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 41' ' ' TRP . 53.8 Cg_endo -69.74 -49.66 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.499 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 1.5 p-90 -81.52 16.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -81.18 110.21 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -83.77 135.18 34.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.81 ' CG1' HD11 ' A' ' 37' ' ' LEU . 15.6 m -116.92 166.01 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -146.36 126.27 13.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.722 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 61.4 m95 -90.49 133.98 34.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.6 p -123.47 132.4 53.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.472 ' HD2' ' CZ ' ' A' ' 83' ' ' TYR . 14.9 tttm -113.85 106.41 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 66.96 45.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.62 -30.91 3.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' LYS . 4.1 mm-40 -84.49 161.88 20.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.72 135.91 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.402 HG21 ' HB2' ' A' ' 46' ' ' TRP . 7.0 m -67.09 140.34 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 p -117.85 131.23 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -46.65 146.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -169.14 167.63 5.52 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.709 0.766 . . . . 0.0 110.83 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.6 Cg_endo -69.76 4.03 2.43 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.38 -7.87 9.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.638 HD21 HD21 ' A' ' 61' ' ' LEU . 7.5 tt -140.32 108.19 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.3 mt -101.22 126.41 47.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.688 HD23 HD13 ' A' ' 70' ' ' LEU . 77.8 mt -95.48 110.72 22.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -93.46 143.81 25.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -136.0 119.73 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.667 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.4 tt0 -97.02 -175.07 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -49.93 -68.74 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 p -118.76 2.43 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.667 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -126.08 142.52 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.0 mmt-85 -110.37 156.06 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -149.17 147.47 28.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.688 HD13 HD23 ' A' ' 61' ' ' LEU . 7.1 tp -115.66 107.63 15.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 32' ' ' VAL . 92.7 t -102.12 138.23 27.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.419 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -123.55 107.21 31.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.565 0.698 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.75 -9.84 27.09 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.72 107.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -101.85 170.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -140.32 148.99 42.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.543 HD23 HG12 ' A' ' 98' ' ' VAL . 41.5 mt -48.69 -29.97 5.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -69.91 -36.74 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -57.72 -34.17 69.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.406 ' CB ' ' H ' ' A' ' 98' ' ' VAL . 63.5 p -51.14 116.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.82 -124.71 0.76 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -131.33 104.52 7.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.377 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.472 ' CZ ' ' HD2' ' A' ' 48' ' ' LYS . 27.7 m-85 -89.01 109.37 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.62 111.9 23.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 42.4 t -89.22 107.14 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -102.38 137.89 40.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.725 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.82 -59.2 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -135.02 -72.42 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -120.06 -11.2 9.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' A' ' 90' ' ' GLU . 4.5 mp0 -111.76 168.88 9.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.9 p -147.18 146.73 29.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -103.53 133.04 49.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.2 t -86.14 123.13 31.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -131.93 99.86 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.1 m -83.35 119.22 24.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.8 t -125.1 92.99 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.6 m -91.38 122.43 33.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.543 HG12 HD23 ' A' ' 77' ' ' LEU . 61.2 t -106.29 133.35 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.3 p -128.3 174.79 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -74.73 134.18 75.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.662 0.744 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 168.67 20.89 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.262 . . . . 0.0 112.377 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.76 ' HB3' HD13 ' A' ' 87' ' ' ILE . 58.8 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.695 0.283 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.5 mt -71.8 97.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.464 HG12 ' C ' ' A' ' 36' ' ' GLU . 9.3 p -73.91 -27.36 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -166.07 145.42 5.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.654 0.74 . . . . 0.0 110.966 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.4 Cg_endo -69.76 166.5 73.9 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.397 -0.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -104.99 64.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.0 -159.61 27.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -83.68 143.4 30.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -134.02 136.67 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -105.38 140.57 38.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -144.07 122.29 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.48 124.24 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.526 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -122.87 176.71 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.9 t -130.72 155.05 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -45.4 117.83 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt 65.61 39.28 5.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.465 ' H ' HG22 ' A' ' 75' ' ' VAL . 32.9 tp10 -99.68 157.62 16.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -97.48 105.99 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.425 ' CG2' HD13 ' A' ' 72' ' ' LEU . 16.6 m -106.86 157.76 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.794 HG22 HG22 ' A' ' 71' ' ' VAL . 98.7 t -140.22 107.17 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.468 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 4.2 mp -84.08 139.05 32.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.6 m -110.79 113.57 26.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.85 106.89 6.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.464 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.6 tt0 -95.96 159.59 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.544 HD11 ' CG1' ' A' ' 44' ' ' VAL . 44.3 mt -129.69 161.49 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.453 ' O ' ' NH1' ' A' ' 39' ' ' ARG . 5.4 t -87.15 10.44 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.66 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 49.9 mmt-85 -148.45 140.26 14.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.718 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.514 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.2 Cg_endo -69.76 -51.72 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.281 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.583 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 5.5 p-90 -84.33 23.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.66 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -82.72 109.88 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -85.19 135.08 34.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.587 HG12 ' HB ' ' A' ' 87' ' ' ILE . 28.2 m -120.46 173.74 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -150.92 126.37 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.468 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 56.8 m95 -90.39 142.46 27.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.429 HG22 ' HA ' ' A' ' 52' ' ' GLU . 40.7 p -135.16 127.21 29.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -100.79 100.54 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 64.73 37.01 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.64 -31.23 7.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -80.09 122.93 27.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' HA ' HG22 ' A' ' 47' ' ' THR . 49.6 tt0 -65.44 115.92 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.51 139.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 54' ' ' VAL . 14.4 p -118.9 128.55 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.3 mt-10 -38.44 147.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.447 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.23 167.59 4.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.4 Cg_endo -69.7 3.11 2.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.8 -7.36 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 61' ' ' LEU . 8.0 tt -140.44 105.17 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 70' ' ' LEU . 75.1 mt -98.79 129.21 45.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.788 HD23 HD13 ' A' ' 70' ' ' LEU . 75.7 mt -100.05 110.46 22.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -92.32 147.36 22.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -139.22 120.46 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.665 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.0 tt0 -99.54 -174.73 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.06 -71.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 40' ' ' PRO . 5.5 p -115.69 2.39 13.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.665 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -126.8 145.93 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -115.09 156.11 25.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.405 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 44.3 mtm180 -147.15 149.48 33.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.788 HD13 HD23 ' A' ' 61' ' ' LEU . 7.4 tp -118.98 102.29 8.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.794 HG22 HG22 ' A' ' 32' ' ' VAL . 77.9 t -99.03 138.65 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.459 HD12 ' C ' ' A' ' 71' ' ' VAL . 6.8 mp -122.5 110.99 31.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.3 Cg_endo -69.76 -11.23 30.41 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.96 110.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.465 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.5 m -103.9 169.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -139.71 145.6 38.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.554 HD23 HG12 ' A' ' 98' ' ' VAL . 48.4 mt -45.21 -34.66 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -38.18 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -54.91 -33.85 62.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.0 p -53.21 121.24 7.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -172.34 -119.84 0.54 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -133.59 100.42 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -84.51 105.83 15.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.14 120.06 41.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -97.91 107.52 20.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -99.43 136.81 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.76 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -112.85 -76.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.612 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 3.4 t0 -113.06 -71.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.05 -16.6 6.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -106.48 169.75 8.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.9 p -144.97 149.35 35.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.82 134.54 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.9 t -90.31 126.52 35.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -134.69 99.9 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.7 m -81.64 120.97 25.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.14 93.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 m -92.68 118.05 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.554 HG12 HD23 ' A' ' 77' ' ' LEU . 59.7 t -102.41 143.99 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.9 p -136.69 174.82 10.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -75.39 135.35 72.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.629 0.728 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 164.66 33.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.778 ' HB3' HD13 ' A' ' 87' ' ' ILE . 73.0 m95 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.701 0.286 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.411 HG21 ' HB2' ' A' ' 92' ' ' ALA . 19.4 mt -64.86 92.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.529 HG12 ' C ' ' A' ' 36' ' ' GLU . 8.7 p -70.84 -28.95 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.581 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -165.31 145.73 5.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 0.0 110.912 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.701 ' HG3' HG21 ' A' ' 21' ' ' VAL . 53.2 Cg_endo -69.81 164.33 79.65 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.317 -0.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -106.79 65.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.31 -152.63 24.74 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -83.72 146.86 27.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.701 HG21 ' HG3' ' A' ' 17' ' ' PRO . 97.5 t -134.9 124.11 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -100.89 137.62 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.9 t -144.04 127.89 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.91 129.6 53.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -131.69 176.62 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.436 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.5 t -132.65 156.13 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -44.4 117.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt 66.65 36.49 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.444 ' H ' HG22 ' A' ' 75' ' ' VAL . 17.8 tp10 -95.49 158.65 15.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -100.44 99.06 9.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.474 HG11 ' HB2' ' A' ' 25' ' ' ALA . 22.5 m -99.36 159.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.745 HG22 HG22 ' A' ' 71' ' ' VAL . 99.2 t -140.48 108.38 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.408 HD22 HD23 ' A' ' 70' ' ' LEU . 5.4 mp -88.25 140.84 29.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.1 m -114.19 123.47 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.46 ' C ' HG23 ' A' ' 67' ' ' VAL . 2.6 t -142.74 112.07 6.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.529 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.7 tt0 -96.12 158.8 15.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 36' ' ' GLU . 58.1 mt -130.2 154.02 47.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -70.27 -18.15 63.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -133.51 145.42 56.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.646 0.736 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.707 ' HA ' HG22 ' A' ' 66' ' ' THR . 54.4 Cg_endo -69.7 -51.32 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.382 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.479 ' CD1' ' HG2' ' A' ' 40' ' ' PRO . 2.0 p-90 -81.96 40.81 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.81 115.24 28.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -80.91 132.34 35.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.593 HG12 ' HB ' ' A' ' 87' ' ' ILE . 14.1 m -126.77 171.98 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -152.69 128.72 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' O ' HG22 ' A' ' 53' ' ' VAL . 65.4 m95 -88.98 137.85 31.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.3 p -130.43 127.51 39.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -101.79 103.9 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 63.02 36.2 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.46 -33.01 6.15 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -77.03 148.75 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -89.31 110.42 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 46' ' ' TRP . 28.3 m -55.08 141.06 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.53 137.04 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -42.3 149.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.44 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -171.15 166.35 4.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.88 -179.781 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 53.4 Cg_endo -69.79 5.01 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.31 -10.91 7.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.752 HD21 HD21 ' A' ' 61' ' ' LEU . 7.0 tt -135.04 101.55 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.9 mt -94.67 127.25 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.752 HD21 HD21 ' A' ' 59' ' ' LEU . 79.8 mt -98.51 112.54 24.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -96.57 161.87 13.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -150.0 113.28 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.678 ' HB3' HG13 ' A' ' 67' ' ' VAL . 1.8 tp10 -92.22 -179.98 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -40.74 -68.25 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.707 HG22 ' HA ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -125.39 6.51 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.678 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -127.08 123.46 62.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.1 mmt-85 -86.82 147.69 25.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.428 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 24.4 mtm180 -135.48 145.74 47.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.608 HD13 HD23 ' A' ' 61' ' ' LEU . 5.7 tp -120.67 98.1 5.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.745 HG22 HG22 ' A' ' 32' ' ' VAL . 70.9 t -95.56 137.4 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.426 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -122.5 106.39 35.21 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.0 Cg_endo -69.76 -10.01 27.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.89 105.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.444 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.7 m -103.18 171.93 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -139.13 150.16 45.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.584 HD23 HG12 ' A' ' 98' ' ' VAL . 52.0 mt -50.63 -37.55 41.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -67.36 -36.32 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -56.98 -35.94 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.459 ' HB3' HG23 ' A' ' 98' ' ' VAL . 70.3 p -52.96 120.84 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.7 -123.58 0.7 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -127.82 101.36 6.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -84.35 102.87 13.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -102.58 115.58 30.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.509 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 43.4 t -97.2 107.62 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.9 139.7 35.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.778 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -113.74 -57.07 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.483 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 3.6 t0 -134.98 -72.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -118.97 -25.62 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -100.18 169.2 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.9 p -145.31 147.0 31.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.411 ' HB2' HG21 ' A' ' 14' ' ' ILE . . . -103.68 125.39 50.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.083 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.8 t -85.88 130.03 34.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -134.86 101.37 4.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.8 m -79.96 119.97 23.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.1 t -124.39 92.72 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.4 m -89.32 121.8 31.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.584 HG12 HD23 ' A' ' 77' ' ' LEU . 44.4 t -105.88 148.34 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.5 p -139.96 -177.71 5.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -84.49 133.87 43.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.35 24.73 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.8 ' HB3' HD13 ' A' ' 87' ' ' ILE . 61.8 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.756 0.312 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.9 mt -69.05 101.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.467 HG12 ' C ' ' A' ' 36' ' ' GLU . 12.2 p -77.16 -27.12 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -164.38 146.67 7.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.709 0.766 . . . . 0.0 110.894 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.1 Cg_endo -69.72 168.44 67.3 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.351 -0.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -102.67 63.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.13 -153.36 24.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -86.81 147.2 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.498 HG21 ' HG3' ' A' ' 17' ' ' PRO . 91.3 t -133.44 126.59 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -98.42 133.59 42.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -136.07 137.95 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.97 131.8 56.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.17 171.77 13.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.1 t -125.75 160.4 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -48.69 118.63 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 mt 68.78 34.4 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 10.9 tp10 -98.59 159.66 14.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.96 122.45 45.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.5 m -118.48 165.08 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.667 HG22 HG22 ' A' ' 71' ' ' VAL . 84.7 t -144.24 106.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.508 HD22 HD23 ' A' ' 70' ' ' LEU . 5.0 mp -83.71 139.85 32.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.479 HG22 ' CE1' ' A' ' 16' ' ' TYR . 23.1 m -112.04 117.67 33.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.463 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.9 t -142.65 105.67 4.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.4 tt0 -95.89 161.75 13.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.912 HD11 ' CG1' ' A' ' 44' ' ' VAL . 33.7 mt -132.03 155.76 47.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.6 p -81.59 9.24 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.533 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 9.1 mmp_? -145.07 136.22 12.49 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.874 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.82 -50.17 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.425 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 2.5 p-90 -82.31 19.07 1.27 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -84.38 119.57 25.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -90.25 145.5 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.912 ' CG1' HD11 ' A' ' 37' ' ' LEU . 11.2 m -126.02 166.69 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -149.44 126.03 10.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.496 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 53.5 m95 -90.94 133.22 35.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.5 p -120.32 132.84 55.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -112.69 102.06 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 72.28 40.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.99 -32.06 5.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -84.99 161.24 19.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.06 136.25 33.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 46' ' ' TRP . 10.4 m -66.2 142.04 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.97 129.1 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -46.0 146.44 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -168.57 167.67 6.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.691 0.758 . . . . 0.0 110.838 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.6 Cg_endo -69.71 1.49 4.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.03 -12.27 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.807 HD21 HD21 ' A' ' 61' ' ' LEU . 8.0 tt -134.4 102.98 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.426 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 65.8 mt -96.5 125.89 41.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.807 HD21 HD21 ' A' ' 59' ' ' LEU . 81.9 mt -98.07 109.71 22.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' ARG . 58.4 mm-40 -92.98 146.81 23.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.493 ' HG2' ' CZ ' ' A' ' 68' ' ' ARG . 20.6 mttt -135.82 112.68 10.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.687 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.1 tt0 -87.09 -175.02 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.874 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.1 p -120.24 3.04 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.687 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -126.91 143.73 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.493 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 5.2 mmm180 -105.19 156.07 18.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 62' ' ' GLN . 34.3 mtm180 -149.1 142.88 25.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.785 HD13 HD23 ' A' ' 61' ' ' LEU . 6.8 tp -117.77 110.56 17.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.667 HG22 HG22 ' A' ' 32' ' ' VAL . 88.9 t -106.3 136.83 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.415 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.3 mp -118.44 102.19 50.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.426 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 53.4 Cg_endo -69.78 -9.42 26.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.34 105.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 29' ' ' GLU . 1.3 m -104.83 168.75 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -144.9 144.89 31.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.579 HD23 HG12 ' A' ' 98' ' ' VAL . 53.7 mt -44.01 -29.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.75 -38.7 73.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.81 -36.02 66.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.8 p -45.42 116.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -168.84 -139.14 2.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -119.89 102.02 8.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.895 0.379 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -85.27 109.53 18.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -110.17 113.94 27.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 6.2 t -88.04 107.4 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -101.91 134.16 45.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.8 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.64 -61.09 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.151 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.438 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 1.7 t70 -133.93 -71.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -119.29 -20.85 7.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -103.47 168.96 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.3 p -145.93 147.53 31.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.66 131.73 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 t -85.86 124.42 32.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -132.77 99.97 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.1 m -83.17 126.82 33.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.3 t -134.11 107.51 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.7 m -104.59 118.5 36.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.579 HG12 HD23 ' A' ' 77' ' ' LEU . 97.1 t -100.94 146.35 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.4 p -143.68 172.96 12.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.18 137.02 68.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.694 0.759 . . . . 0.0 110.815 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.91 36.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.358 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.444 ' HB3' HG21 ' A' ' 87' ' ' ILE . 55.2 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.751 0.31 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.8 mt -73.03 97.96 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 36' ' ' GLU . 14.1 p -74.15 -27.6 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -166.07 145.73 5.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.666 0.746 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.7 166.06 74.87 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.353 -0.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -104.89 65.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.01 -148.5 20.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -93.54 145.73 24.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.09 145.42 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -113.78 138.77 49.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 t -143.99 143.49 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.24 138.03 51.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.62 169.02 18.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.435 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.6 t -132.99 160.49 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -45.86 112.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt 67.41 43.54 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 11.6 tp10 -98.9 161.93 13.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -106.25 100.69 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.527 ' CG2' HD13 ' A' ' 72' ' ' LEU . 21.9 m -98.19 159.08 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.606 HG22 HG22 ' A' ' 71' ' ' VAL . 89.3 t -141.21 105.35 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.559 HD22 HD23 ' A' ' 70' ' ' LEU . 4.9 mp -84.73 139.3 32.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.9 m -110.34 118.83 37.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.96 105.76 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' O ' HG12 ' A' ' 15' ' ' VAL . 8.4 tt0 -95.88 158.07 15.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.41 HD11 HG13 ' A' ' 44' ' ' VAL . 50.3 mt -127.87 158.85 36.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 t -83.06 6.45 18.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.571 ' HD3' ' CZ2' ' A' ' 41' ' ' TRP . 1.5 mmp_? -149.17 141.61 15.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.571 0.7 . . . . 0.0 110.875 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.645 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.4 Cg_endo -69.79 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.571 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 2.4 p-90 -82.71 33.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -95.61 110.06 22.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.19 140.31 31.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.799 HG12 ' HB ' ' A' ' 87' ' ' ILE . 28.3 m -127.56 167.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -142.88 122.38 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 61.0 m95 -86.63 134.67 33.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.3 p -127.42 127.83 44.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -99.84 93.95 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t0 72.57 36.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.48 -31.78 7.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -80.05 142.64 34.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -81.79 116.32 21.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 m -59.6 133.94 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -110.88 132.16 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -42.88 148.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.93 167.77 3.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.78 2.99 3.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.95 -14.01 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 59' ' ' LEU . 7.4 tt -134.64 100.48 4.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 57.8 mt -93.31 127.43 38.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.672 HD23 HD13 ' A' ' 70' ' ' LEU . 87.7 mt -97.12 112.05 24.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' ARG . 50.0 mm-40 -95.63 145.47 25.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HG3' ' NH1' ' A' ' 68' ' ' ARG . 7.9 mptt -136.57 125.55 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.585 ' HB3' HG13 ' A' ' 67' ' ' VAL . 3.0 tp10 -100.49 -176.76 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.39 -63.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.645 HG22 ' HA ' ' A' ' 40' ' ' PRO . 3.0 p -124.76 -2.08 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.585 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -120.53 137.78 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' NH1' ' HG3' ' A' ' 63' ' ' LYS . 4.4 mmm180 -99.86 156.09 17.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' GLN . 20.5 mtm180 -147.51 143.87 28.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.672 HD13 HD23 ' A' ' 61' ' ' LEU . 7.8 tp -116.43 111.84 20.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.606 HG22 HG22 ' A' ' 32' ' ' VAL . 86.0 t -108.24 134.23 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.527 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.0 mp -118.07 103.79 49.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.416 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.78 -12.67 33.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.45 105.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.89 170.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -136.93 149.83 47.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.8 mt -52.17 -37.94 56.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.67 -37.1 85.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.03 -34.35 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.8 p -42.28 120.32 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.56 -136.1 2.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -124.73 127.01 46.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -103.21 105.7 16.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.69 111.12 23.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.527 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 42.3 t -94.24 106.83 18.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -104.22 136.55 43.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.799 ' HB ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -106.14 -55.02 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -135.02 -72.55 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -119.6 -17.82 8.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -106.47 167.72 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.5 p -146.76 148.6 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.27 133.27 48.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.5 t -87.58 126.97 35.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -134.16 99.98 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.7 m -81.22 123.21 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.4 t -130.56 105.16 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 88.3 m -102.83 119.88 39.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 99' ' ' THR . 53.2 t -95.51 152.67 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.401 ' N ' HG12 ' A' ' 98' ' ' VAL . 22.2 p -147.53 174.02 12.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -81.27 134.39 52.06 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.662 0.744 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 165.45 30.92 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.521 ' HB3' HD13 ' A' ' 87' ' ' ILE . 43.0 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.759 0.314 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mt -77.37 93.59 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.511 HG12 ' C ' ' A' ' 36' ' ' GLU . 9.5 p -71.58 -19.73 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -173.23 145.37 1.23 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.691 0.758 . . . . 0.0 110.888 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.7 Cg_endo -69.76 169.6 62.57 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.305 -0.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.2 p -105.97 64.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.54 -140.19 9.39 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -100.88 143.48 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -133.75 127.58 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -97.68 139.77 33.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.4 t -141.07 137.47 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.54 140.15 45.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.722 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -134.99 174.44 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.465 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.6 t -135.93 160.8 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -45.33 110.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 mt 68.38 44.38 1.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.465 ' CB ' ' H ' ' A' ' 26' ' ' VAL . 4.3 tp10 -97.35 158.08 15.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 1.2 tmt_? -104.39 94.58 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -91.98 161.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 71' ' ' VAL . 91.1 t -141.78 105.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.555 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.0 mp -80.37 138.71 36.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -112.98 113.07 24.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 t -138.52 105.76 5.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.511 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.5 tt0 -95.84 156.55 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.592 HD11 ' CG1' ' A' ' 44' ' ' VAL . 30.4 mt -127.84 164.14 22.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.3 p -88.28 10.58 19.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.594 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.4 mmt180 -150.81 138.68 12.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.536 ' CA ' HG22 ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.69 -50.02 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.752 2.301 . . . . 0.0 112.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.594 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.6 p-90 -83.18 29.44 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -90.24 109.76 20.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.052 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -82.54 133.61 35.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.592 ' CG1' HD11 ' A' ' 37' ' ' LEU . 17.3 m -122.18 169.09 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -146.22 126.31 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 61.2 m95 -90.49 135.29 33.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.7 p -122.01 127.35 50.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 53' ' ' VAL . 8.3 tmtt? -108.38 100.81 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.0 t70 71.27 35.8 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.83 -30.79 7.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -84.15 155.54 22.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -91.79 111.19 22.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 46' ' ' TRP . 17.9 m -51.25 137.99 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 p -113.43 134.81 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -44.09 147.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.454 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.48 167.99 4.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.71 0.767 . . . . 0.0 110.835 -179.752 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.5 Cg_endo -69.8 1.42 4.48 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.262 . . . . 0.0 112.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.68 -12.7 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.749 HD21 HD21 ' A' ' 61' ' ' LEU . 8.3 tt -135.02 103.66 5.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.0 mt -95.47 129.46 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.755 HD23 HD13 ' A' ' 70' ' ' LEU . 85.2 mt -102.38 108.03 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -92.12 146.78 23.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' HG2' ' CZ ' ' A' ' 68' ' ' ARG . 27.7 mtmt -138.8 113.24 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.618 ' CB ' HG13 ' A' ' 67' ' ' VAL . 3.5 tp10 -87.52 -174.59 4.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -60.01 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.536 HG22 ' CA ' ' A' ' 40' ' ' PRO . 21.6 p -126.4 -1.26 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.618 HG13 ' CB ' ' A' ' 64' ' ' GLU . 1.5 p -121.96 139.24 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.465 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 4.7 mmm180 -105.69 156.22 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -149.83 141.0 23.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.755 HD13 HD23 ' A' ' 61' ' ' LEU . 8.0 tp -112.03 103.8 12.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 32' ' ' VAL . 79.1 t -99.38 136.66 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD11 ' HG ' ' A' ' 70' ' ' LEU . 6.8 mp -122.41 105.31 36.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.9 Cg_endo -69.71 -12.9 33.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.369 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.78 108.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -106.68 175.0 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -142.72 145.66 33.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.519 HD23 HG12 ' A' ' 98' ' ' VAL . 65.2 mt -47.42 -40.06 17.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -62.35 -39.53 93.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -55.98 -32.04 63.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.402 ' CB ' ' H ' ' A' ' 98' ' ' VAL . 54.0 p -47.86 121.68 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -179.05 -127.13 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -125.88 139.01 53.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -119.54 105.14 10.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.57 112.12 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.573 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 51.8 t -94.03 107.05 19.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -101.39 137.08 40.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.56 ' HB ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -109.12 -57.16 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -135.04 -72.95 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -120.25 -11.7 9.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -113.7 166.49 11.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.4 p -143.99 148.58 35.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.61 134.56 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 t -87.41 124.95 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -134.19 99.92 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.4 m -81.58 126.02 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.0 t -130.27 106.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 92.5 m -109.67 118.37 36.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.722 HG22 ' HB3' ' A' ' 25' ' ' ALA . 67.2 t -97.81 146.61 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.2 p -138.59 176.56 8.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -78.87 135.54 59.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 168.19 22.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.4 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.558 ' CE3' HD11 ' A' ' 87' ' ' ILE . 47.3 m95 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.712 0.291 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.464 ' CD1' ' C ' ' A' ' 91' ' ' SER . 26.4 mt -74.4 95.57 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.427 HG12 ' C ' ' A' ' 36' ' ' GLU . 14.9 p -72.63 -32.33 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.583 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -158.7 146.03 13.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.684 0.754 . . . . 0.0 110.892 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.0 Cg_endo -69.78 170.48 58.34 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.325 -0.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -103.51 63.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.09 -140.07 9.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -99.12 145.38 27.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.0 t -134.22 122.09 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -94.18 132.95 38.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.6 t -135.4 127.7 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.7 135.6 44.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.624 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -134.61 173.55 11.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.8 t -129.08 155.92 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -44.89 117.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.6 mt 66.97 35.99 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.508 ' H ' HG22 ' A' ' 75' ' ' VAL . 18.9 tp10 -95.52 158.97 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.45 102.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.624 HG11 ' HB2' ' A' ' 25' ' ' ALA . 33.4 m -104.34 163.11 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.932 HG22 HG22 ' A' ' 71' ' ' VAL . 83.6 t -141.72 110.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.646 HD22 HD23 ' A' ' 70' ' ' LEU . 5.5 mp -86.34 141.35 29.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.6 m -112.82 118.13 34.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.6 t -139.67 106.99 5.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.439 ' O ' HD23 ' A' ' 37' ' ' LEU . 9.1 tt0 -95.97 162.01 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.914 HD11 ' CG1' ' A' ' 44' ' ' VAL . 58.7 mt -133.84 155.4 49.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.6 p -80.64 4.13 19.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.593 ' HD3' ' CZ2' ' A' ' 41' ' ' TRP . 1.8 mmp_? -143.64 137.29 14.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.6 0.714 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.917 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.73 -48.86 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.593 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 3.3 p-90 -83.9 27.05 0.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.53 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -90.85 110.01 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -80.86 136.13 36.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.914 ' CG1' HD11 ' A' ' 37' ' ' LEU . 5.0 m -120.63 166.65 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.3 ttm-85 -147.87 126.94 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 46.3 m95 -90.44 138.71 31.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.424 HG22 ' HA ' ' A' ' 52' ' ' GLU . 52.5 p -133.15 132.99 42.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' GLU . 13.2 tttt -102.88 105.56 15.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.22 46.48 10.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.66 -33.07 4.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 48' ' ' LYS . 17.6 mt-10 -78.05 153.02 32.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HA ' HG22 ' A' ' 47' ' ' THR . 13.4 tt0 -93.7 116.24 28.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 46' ' ' TRP . 17.2 m -59.79 138.14 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -113.75 139.79 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -49.0 148.0 2.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.447 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.31 167.66 3.83 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.655 0.741 . . . . 0.0 110.85 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.77 3.51 2.74 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.03 -5.95 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 61' ' ' LEU . 8.4 tt -141.94 105.14 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.6 mt -99.03 127.24 44.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 59' ' ' LEU . 80.6 mt -96.55 110.92 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' ARG . 59.8 mm-40 -92.82 147.55 22.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -143.13 116.96 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -93.61 -174.59 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.8 -64.71 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.917 HG22 ' HA ' ' A' ' 40' ' ' PRO . 2.3 p -123.21 -7.67 8.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -114.82 132.18 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.3 mmt-85 -99.58 154.54 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.475 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 34.4 mtm180 -144.19 151.49 39.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.646 HD23 HD22 ' A' ' 33' ' ' LEU . 6.0 tp -121.02 103.39 9.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.932 HG22 HG22 ' A' ' 32' ' ' VAL . 78.6 t -101.13 137.14 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.1 mp -120.46 108.94 37.07 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -11.97 31.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.67 107.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.508 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.6 m -103.74 169.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 79' ' ' ASP . 21.1 mm-40 -141.05 147.07 38.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.7 mt -44.6 -33.78 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -67.58 -36.82 81.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 76' ' ' GLN . 5.1 m-20 -55.55 -30.44 60.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.6 p -55.21 121.07 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.56 -123.17 0.78 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -131.88 116.11 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -101.51 108.42 19.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -106.31 120.38 41.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.9 t -100.21 107.17 18.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.72 140.1 34.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.558 HD11 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -111.97 -58.31 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -135.02 -73.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.39 -11.94 9.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 13' ' ' TRP . 2.9 pt-20 -115.76 168.21 10.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.464 ' C ' ' CD1' ' A' ' 14' ' ' ILE . 60.0 p -144.5 151.79 39.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.3 137.15 41.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.06 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.2 t -89.69 122.95 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -133.4 99.86 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.2 m -82.33 125.42 30.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.7 t -125.67 97.57 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.9 m -97.34 114.52 26.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.462 HG22 ' HB3' ' A' ' 25' ' ' ALA . 40.9 t -100.52 147.19 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 p -140.16 177.7 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.11 136.92 53.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.3 50.2 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.589 ' HB3' HD13 ' A' ' 87' ' ' ILE . 59.9 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.728 0.299 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.0 mt -73.86 89.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.686 HG12 ' C ' ' A' ' 36' ' ' GLU . 5.5 p -68.68 -22.32 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.614 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -172.5 146.23 1.55 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.679 0.752 . . . . 0.0 110.975 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.752 ' HG3' HG21 ' A' ' 21' ' ' VAL . 53.7 Cg_endo -69.76 169.19 64.52 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.331 -0.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 m -104.44 64.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.64 -139.14 8.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -98.66 146.88 25.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.837 0.351 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.752 HG21 ' HG3' ' A' ' 17' ' ' PRO . 96.8 t -134.3 113.1 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.0 132.16 38.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.57 138.0 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.37 117.73 31.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -118.39 176.44 5.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 t -130.05 158.89 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -48.48 116.26 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt 69.41 37.1 2.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' H ' HG22 ' A' ' 75' ' ' VAL . 18.1 tp10 -98.8 157.24 16.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.458 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 1.9 tmt_? -101.31 108.83 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.488 HG11 ' HB2' ' A' ' 25' ' ' ALA . 17.7 m -110.14 159.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.829 HG22 HG22 ' A' ' 71' ' ' VAL . 95.1 t -140.05 105.54 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.625 HD22 HD23 ' A' ' 70' ' ' LEU . 4.5 mp -79.64 140.93 36.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 m -113.9 115.22 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.421 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.7 t -138.4 106.02 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.686 ' C ' HG12 ' A' ' 15' ' ' VAL . 10.7 tt0 -95.7 152.04 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.576 HD21 HG11 ' A' ' 44' ' ' VAL . 44.2 mt -119.99 171.38 8.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.408 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 27.2 p -94.81 14.25 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 1.016 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 27.8 mmm180 -151.37 147.99 21.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.787 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.7 Cg_endo -69.78 -51.72 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 -87.42 17.47 4.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 1.016 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -72.11 109.7 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -85.21 153.97 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.576 HG11 HD21 ' A' ' 37' ' ' LEU . 23.6 m -139.36 170.29 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -144.04 125.79 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.466 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 48.4 m95 -92.62 134.4 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.6 p -127.77 139.96 52.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -110.17 94.29 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 t70 74.23 28.31 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.84 -33.1 6.75 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -78.9 151.67 31.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -91.66 120.63 32.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -63.35 141.88 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' GLU . 13.3 p -117.42 128.83 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.7 mt-10 -37.84 146.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.464 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.15 168.42 4.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.881 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.74 3.44 2.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.4 -3.13 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 59' ' ' LEU . 6.8 tt -145.13 105.12 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 70' ' ' LEU . 78.0 mt -98.06 133.3 42.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.599 HD23 HD13 ' A' ' 70' ' ' LEU . 64.7 mt -104.25 111.04 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -95.91 146.32 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -138.46 112.04 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.709 ' HB3' HG13 ' A' ' 67' ' ' VAL . 3.6 tt0 -86.64 -174.74 5.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -70.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.787 HG22 ' HA ' ' A' ' 40' ' ' PRO . 2.4 p -114.26 1.78 14.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.709 HG13 ' HB3' ' A' ' 64' ' ' GLU . 1.8 p -127.31 146.37 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.4 mmt-85 -111.62 155.8 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -147.24 150.27 34.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.625 HD23 HD22 ' A' ' 33' ' ' LEU . 5.4 tp -122.64 105.38 10.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.829 HG22 HG22 ' A' ' 32' ' ' VAL . 75.5 t -98.85 141.45 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.433 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.2 mp -124.24 106.47 30.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.587 0.708 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.78 -13.63 34.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.36 107.56 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.46 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.4 m -105.02 163.0 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -136.0 146.29 47.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.725 HD23 HG12 ' A' ' 98' ' ' VAL . 40.9 mt -43.91 -37.77 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -62.26 -38.95 91.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.14 -29.94 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.4 p -54.44 114.75 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.96 -124.63 0.73 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -133.62 104.03 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -85.75 109.89 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.91 113.93 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.466 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 36.2 t -92.92 107.15 19.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -102.97 135.2 45.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.589 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -105.28 -77.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.577 ' H ' HG23 ' A' ' 87' ' ' ILE . 1.5 t70 -116.37 -68.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -126.21 -0.16 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -118.0 169.06 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.6 p -147.36 145.11 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -106.32 135.55 47.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 t -88.64 124.49 34.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -134.81 99.75 4.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.5 m -84.99 125.62 32.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.1 t -128.73 92.4 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.6 m -88.18 126.91 35.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.725 HG12 HD23 ' A' ' 77' ' ' LEU . 75.9 t -108.67 136.0 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 p -127.6 171.45 11.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -74.42 130.04 82.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.672 0.749 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 168.78 20.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.743 2.295 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.372 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.696 ' HB3' HD13 ' A' ' 87' ' ' ILE . 31.7 m95 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.766 0.317 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.7 mt -68.5 91.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.522 HG12 ' C ' ' A' ' 36' ' ' GLU . 7.1 p -72.06 -18.24 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.563 ' HA ' ' C ' ' A' ' 17' ' ' PRO . 1.1 t80 -173.85 144.46 1.04 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.667 0.746 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.74 166.2 74.61 Favored 'Cis proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.357 -0.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -100.61 63.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.39 -156.86 26.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -84.49 143.85 29.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.8 t -131.74 136.52 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -106.6 136.08 47.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.7 t -138.22 130.26 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.5 143.25 32.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -142.89 176.6 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.475 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.6 t -134.61 158.12 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -43.88 116.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 mt 64.17 38.94 7.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.475 ' CB ' ' H ' ' A' ' 26' ' ' VAL . 11.1 tp10 -93.51 162.23 14.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -105.23 95.79 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.483 HG11 ' HB2' ' A' ' 25' ' ' ALA . 17.2 m -96.23 157.77 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 71' ' ' VAL . 97.6 t -140.09 110.58 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.654 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.3 mp -86.88 149.38 24.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.0 m -124.8 122.63 37.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.6 t -142.75 109.9 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.522 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.5 tt0 -96.02 154.4 17.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD13 ' HB3' ' A' ' 42' ' ' ALA . 22.3 mt -124.34 154.48 40.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.3 p -70.65 -12.69 61.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -138.16 145.13 46.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.561 0.696 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.862 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.73 -45.97 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 -82.3 34.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HB3' HD13 ' A' ' 37' ' ' LEU . . . -98.26 111.27 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -81.68 141.48 33.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.04 173.85 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -155.03 127.07 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.654 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 66.1 m95 -89.71 137.47 32.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.8 p -131.09 132.55 44.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' GLU . 13.4 tttt -104.34 105.46 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.6 t70 63.7 44.03 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.13 -31.25 5.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 48' ' ' LYS . 13.8 mt-10 -80.56 156.43 26.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -95.5 123.02 38.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 46' ' ' TRP . 19.7 m -62.88 143.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 54' ' ' VAL . 13.8 p -118.91 125.78 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.9 mt-10 -35.69 143.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.457 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -166.73 168.1 7.38 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.647 0.737 . . . . 0.0 110.88 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.457 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.3 Cg_endo -69.81 2.65 3.37 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.236 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.51 -6.33 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 61' ' ' LEU . 8.0 tt -140.85 104.98 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.9 mt -98.82 126.53 44.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 59' ' ' LEU . 67.9 mt -97.07 114.41 26.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -98.79 160.87 13.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -150.34 111.91 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.695 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.3 tp10 -91.8 176.7 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' GLU . 7.8 m-20 -34.84 -73.03 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.862 HG22 ' HA ' ' A' ' 40' ' ' PRO . 0.8 OUTLIER -121.67 7.01 9.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.695 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -127.41 126.07 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 80.5 mmt-85 -92.81 150.17 20.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -139.82 148.37 42.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.529 HD13 HD23 ' A' ' 61' ' ' LEU . 4.1 tp -118.99 101.91 8.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 32' ' ' VAL . 77.9 t -95.98 137.35 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.434 ' HB2' HG22 ' A' ' 31' ' ' VAL . 7.2 mp -121.95 105.77 37.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.595 0.712 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.75 -12.54 33.12 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.33 105.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.19 171.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 79' ' ' ASP . 29.0 mm-40 -139.63 144.5 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.456 HD23 HG12 ' A' ' 98' ' ' VAL . 90.6 mt -43.87 -31.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -33.38 59.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' GLN . 10.2 t0 -57.45 -26.96 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.625 ' HB3' HG23 ' A' ' 98' ' ' VAL . 54.2 p -65.61 120.97 13.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.31 -120.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -131.77 101.3 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -87.45 109.7 19.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -107.44 117.47 34.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.515 ' SG ' ' CE2' ' A' ' 46' ' ' TRP . 5.1 t -98.01 106.82 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -94.73 152.31 18.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.748 HG23 ' H ' ' A' ' 88' ' ' ASP . 1.6 tt -126.39 -63.34 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.748 ' H ' HG23 ' A' ' 87' ' ' ILE . 6.6 t0 -134.19 -72.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -16.31 8.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -108.83 167.68 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.0 p -141.46 146.23 36.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.77 127.04 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -86.77 126.69 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -134.53 99.87 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.3 m -80.3 128.76 33.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.65 101.5 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 96.5 m -97.93 124.32 42.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.625 HG23 ' HB3' ' A' ' 80' ' ' SER . 26.9 t -110.68 135.89 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.5 p -129.59 174.15 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -78.07 136.18 61.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 166.01 29.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.743 2.295 . . . . 0.0 112.306 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.476 ' HB3' HG21 ' A' ' 87' ' ' ILE . 56.5 m95 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.731 0.301 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.6 mt -67.52 94.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.91 -26.33 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -165.12 145.79 6.04 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.669 0.747 . . . . 0.0 110.95 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.6 Cg_endo -69.76 169.57 62.7 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 -0.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 t -106.53 64.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.56 -145.31 14.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -96.01 144.7 26.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -134.58 135.53 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -106.35 138.66 42.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.3 t -140.85 118.85 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.92 132.04 38.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.894 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -128.56 177.07 7.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.404 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.6 t -136.27 157.04 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -43.03 113.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt 66.14 45.15 2.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 3.9 tp10 -100.96 157.54 16.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.467 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.66 101.96 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.4 m -100.11 161.17 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.653 HG22 HG22 ' A' ' 71' ' ' VAL . 94.2 t -140.56 105.08 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.594 HD22 HD23 ' A' ' 70' ' ' LEU . 5.4 mp -81.97 138.82 34.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.1 m -112.1 117.55 32.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.443 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.9 t -140.96 106.92 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.556 ' O ' HD23 ' A' ' 37' ' ' LEU . 10.2 tt0 -95.64 163.59 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 36' ' ' GLU . 57.4 mt -134.92 159.39 41.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 t -86.36 9.25 18.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 47.3 mmt-85 -146.14 138.59 13.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 0.0 110.871 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.827 ' HA ' HG22 ' A' ' 66' ' ' THR . 54.1 Cg_endo -69.66 -49.43 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.8 p-90 -86.69 31.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -92.76 114.92 27.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.67 139.73 30.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.622 HG12 ' HB ' ' A' ' 87' ' ' ILE . 16.3 m -124.3 171.95 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -146.14 125.06 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 60.8 m95 -88.98 133.46 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.2 p -122.55 126.76 48.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HB2' ' CG1' ' A' ' 53' ' ' VAL . 7.1 tmtt? -108.01 98.56 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 t0 74.95 25.03 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.49 -33.62 6.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 6.8 pt-20 -82.75 146.49 28.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.87 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -81.69 110.8 17.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 48' ' ' LYS . 32.2 m -51.62 134.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.3 p -110.59 135.25 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -42.07 150.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.419 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -172.1 166.14 3.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.676 0.751 . . . . 0.0 110.889 -179.787 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.76 4.69 2.05 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.722 2.281 . . . . 0.0 112.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.76 -11.31 7.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.77 HD21 HD21 ' A' ' 61' ' ' LEU . 8.1 tt -134.96 100.27 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.9 mt -91.88 129.55 37.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.77 HD21 HD21 ' A' ' 59' ' ' LEU . 86.2 mt -103.08 110.45 22.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -92.57 148.18 22.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -139.27 111.95 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.681 ' CB ' HG13 ' A' ' 67' ' ' VAL . 1.7 tp10 -86.29 -176.05 5.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -53.55 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.827 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.1 p -119.67 1.59 11.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.681 HG13 ' CB ' ' A' ' 64' ' ' GLU . 2.0 p -126.92 147.8 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.8 mmt-85 -111.14 156.4 21.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 mtm105 -149.15 144.94 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.71 HD13 HD23 ' A' ' 61' ' ' LEU . 7.3 tp -117.4 108.67 15.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.653 HG22 HG22 ' A' ' 32' ' ' VAL . 76.6 t -104.55 134.84 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 7.4 mp -120.68 104.97 41.62 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.648 0.737 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.71 -10.84 29.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.99 106.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.71 173.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -139.8 146.07 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.2 mt -46.71 -28.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -77.99 -37.14 47.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.92 -32.53 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.402 ' CB ' ' H ' ' A' ' 98' ' ' VAL . 52.3 p -59.22 119.46 7.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -168.4 -122.71 0.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -128.2 102.62 6.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -88.16 107.51 18.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -106.55 115.46 30.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.567 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 49.4 t -95.96 107.36 19.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -102.4 138.01 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.622 ' HB ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -109.65 -56.62 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -135.01 -72.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -118.59 -23.93 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 1.2 pm0 -100.64 169.96 8.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 p -146.9 148.49 31.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.58 129.02 50.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -86.07 121.92 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -130.38 100.38 5.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.0 m -80.93 127.29 32.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.23 96.68 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 97.6 m -98.77 114.37 26.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.894 HG22 ' HB3' ' A' ' 25' ' ' ALA . 37.0 t -103.26 141.79 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.8 p -133.08 177.54 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -77.09 134.21 68.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.653 0.739 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 162.66 41.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.9 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.76 ' HB3' HD13 ' A' ' 87' ' ' ILE . 45.6 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.743 0.306 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.401 HG21 ' HB2' ' A' ' 92' ' ' ALA . 12.0 mt -72.51 95.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 36' ' ' GLU . 14.5 p -73.67 -29.8 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -159.51 146.15 12.44 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.722 0.772 . . . . 0.0 110.884 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.705 ' HG3' HG21 ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.74 169.13 64.78 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.337 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.6 m -104.3 64.22 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.77 -138.05 7.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -100.62 146.11 27.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.705 HG21 ' HG3' ' A' ' 17' ' ' PRO . 87.8 t -133.69 113.0 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -94.48 130.53 40.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.22 138.03 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.8 118.93 35.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.567 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -119.39 176.18 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -131.86 157.38 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -46.38 115.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt 68.9 38.34 2.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.501 ' H ' HG22 ' A' ' 75' ' ' VAL . 4.1 tp10 -99.25 157.77 16.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -102.35 105.64 16.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.567 HG11 ' HB2' ' A' ' 25' ' ' ALA . 28.0 m -107.73 159.89 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.888 HG22 HG22 ' A' ' 71' ' ' VAL . 84.0 t -141.22 108.67 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.694 HD22 HD23 ' A' ' 70' ' ' LEU . 4.7 mp -82.48 144.56 30.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -117.2 119.36 34.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.422 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.1 t -142.46 106.51 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 15' ' ' VAL . 13.6 tt0 -95.76 158.72 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.685 HD11 HG13 ' A' ' 44' ' ' VAL . 33.2 mt -128.96 158.24 39.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.4 t -83.41 6.87 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 23.0 mmt180 -144.85 140.61 16.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.847 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.71 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.578 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.3 p-90 -83.34 31.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -92.6 110.44 21.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -88.24 128.8 35.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.685 HG13 HD11 ' A' ' 37' ' ' LEU . 25.1 m -111.36 167.92 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -146.96 124.87 11.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.582 ' O ' HG22 ' A' ' 53' ' ' VAL . 47.2 m95 -89.56 135.3 33.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.6 p -130.28 132.51 45.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 51' ' ' GLU . 10.9 tttt -102.1 104.02 14.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.44 43.63 7.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.19 -32.25 5.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 48' ' ' LYS . 37.4 mm-40 -78.81 152.42 31.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.64 117.76 30.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 46' ' ' TRP . 30.0 m -57.6 144.54 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -116.06 138.71 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.63 146.56 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.484 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -171.01 169.03 3.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.861 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.72 0.42 5.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.69 -14.03 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.722 HD21 HD21 ' A' ' 61' ' ' LEU . 8.3 tt -134.99 101.9 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.5 mt -95.62 129.72 42.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.722 HD21 HD21 ' A' ' 59' ' ' LEU . 79.4 mt -101.47 109.75 21.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -94.04 146.27 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -136.78 112.71 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.689 ' HB3' HG13 ' A' ' 67' ' ' VAL . 2.5 tp10 -87.77 -177.72 5.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -50.09 -67.41 0.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.847 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.2 p -117.89 1.61 12.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.689 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -126.48 147.43 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.3 mmt-85 -110.63 156.08 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -147.0 148.16 31.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.694 HD23 HD22 ' A' ' 33' ' ' LEU . 5.5 tp -121.56 102.18 8.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.888 HG22 HG22 ' A' ' 32' ' ' VAL . 76.2 t -98.29 141.59 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.0 mp -124.72 106.07 29.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.74 -12.0 32.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.302 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.73 108.23 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.501 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.4 m -106.06 167.65 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -141.62 150.52 42.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.1 mt -44.6 -34.83 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.54 -37.57 82.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -28.19 54.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.6 p -58.88 126.85 29.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.84 -132.07 1.68 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -125.78 101.11 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -86.09 110.69 19.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -109.6 118.12 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.3 t -92.96 107.47 19.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -100.72 131.16 46.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.76 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -106.87 -75.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.588 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 2.5 t70 -116.03 -71.29 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.32 -17.64 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -105.19 168.75 8.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.0 p -144.82 149.98 36.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.401 ' HB2' HG21 ' A' ' 14' ' ' ILE . . . -104.73 135.62 45.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.6 t -88.91 119.28 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -130.02 99.7 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.0 m -82.49 124.72 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.0 t -125.02 100.42 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 90.1 m -98.96 117.48 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 25' ' ' ALA . 65.7 t -105.73 138.14 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 32.9 p -132.92 179.56 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -79.86 135.5 55.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 167.97 22.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.236 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.449 ' HB3' HG21 ' A' ' 87' ' ' ILE . 55.0 m95 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.719 0.295 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 mt -72.44 99.73 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 36' ' ' GLU . 12.7 p -76.04 -24.93 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -168.32 145.65 3.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.675 0.75 . . . . 0.0 110.927 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.4 Cg_endo -69.78 165.2 77.32 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.332 -0.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.6 t -102.53 63.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.02 -148.48 20.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -93.18 148.89 21.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.2 t -135.11 141.35 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -110.19 138.38 46.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.42 122.5 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.35 123.67 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -124.13 175.89 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -131.28 163.7 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 -50.72 118.82 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt 65.36 38.67 5.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 9.3 tp10 -100.29 158.92 15.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -103.75 119.17 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG2' HD13 ' A' ' 72' ' ' LEU . 29.6 m -115.16 165.67 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 71' ' ' VAL . 93.2 t -144.26 105.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.617 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.2 mp -82.4 140.67 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.6 m -113.82 113.28 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.66 107.07 6.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.461 ' O ' HG12 ' A' ' 15' ' ' VAL . 11.5 tt0 -95.85 157.35 15.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.717 HD11 ' CG1' ' A' ' 44' ' ' VAL . 63.8 mt -129.01 156.73 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.1 p -85.08 10.32 12.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.521 ' CD ' ' CZ2' ' A' ' 41' ' ' TRP . 8.9 mmp_? -147.98 136.2 11.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.404 ' CA ' HG22 ' A' ' 66' ' ' THR . 53.7 Cg_endo -69.73 -46.97 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.521 ' CZ2' ' CD ' ' A' ' 39' ' ' ARG . 2.0 p-90 -86.35 31.12 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.94 116.91 31.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -88.0 148.18 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.717 ' CG1' HD11 ' A' ' 37' ' ' LEU . 12.3 m -129.3 160.25 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.186 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -139.37 121.46 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.617 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 51.7 m95 -89.95 131.7 35.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.2 p -122.72 128.99 51.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -103.0 95.76 6.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.2 t70 71.13 38.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.52 -31.16 7.01 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.1 143.79 33.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.323 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -83.38 109.94 17.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 m -50.97 136.69 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 p -115.95 132.98 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -42.63 147.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.467 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -171.56 168.43 3.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.729 0.776 . . . . 0.0 110.829 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.1 Cg_endo -69.78 2.25 3.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.14 -12.71 9.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 61' ' ' LEU . 8.1 tt -135.55 105.05 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 64.4 mt -97.95 126.86 43.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.747 HD23 HD13 ' A' ' 70' ' ' LEU . 79.6 mt -98.83 110.62 23.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' ARG . 63.0 mm-40 -93.01 147.31 22.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -139.47 120.15 14.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.663 ' HB3' HG13 ' A' ' 67' ' ' VAL . 2.3 tt0 -99.57 -174.35 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -49.57 -71.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.404 HG22 ' CA ' ' A' ' 40' ' ' PRO . 7.7 p -116.44 1.93 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.663 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.0 p -125.91 142.14 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.5 mmt-85 -111.14 156.24 21.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' GLN . 32.8 mtm180 -147.3 148.5 31.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.747 HD13 HD23 ' A' ' 61' ' ' LEU . 4.9 tp -121.56 108.83 14.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 32' ' ' VAL . 89.5 t -104.06 137.35 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.9 mp -118.5 102.31 50.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.649 0.737 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.41 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 53.2 Cg_endo -69.8 -9.12 25.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.52 105.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -102.18 171.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -139.06 144.07 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.7 mt -47.03 -36.94 8.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -67.66 -38.29 83.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.04 -37.11 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.7 p -46.46 114.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.55 -131.28 1.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -121.99 106.78 11.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -89.17 108.34 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -108.58 120.97 44.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.514 ' SG ' ' CE2' ' A' ' 46' ' ' TRP . 13.0 t -101.1 107.07 18.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -102.07 137.44 40.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.449 HG21 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.06 -55.98 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -134.98 -72.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -119.75 -16.17 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 1.3 pm0 -108.36 169.7 8.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.2 p -147.0 149.27 32.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.29 130.99 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.2 t -85.79 125.51 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -133.98 100.52 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.3 m -81.5 121.0 25.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.9 t -128.36 99.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 96.1 m -103.2 117.66 35.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 25' ' ' ALA . 58.6 t -98.94 148.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 45.2 p -139.91 178.6 7.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -81.87 135.14 48.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.662 0.744 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 165.26 31.51 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.343 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.525 ' HB3' HG21 ' A' ' 87' ' ' ILE . 20.7 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.761 0.315 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 mt -72.94 90.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.572 HG12 ' C ' ' A' ' 36' ' ' GLU . 9.9 p -71.15 -20.1 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -171.01 145.76 1.98 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.702 0.763 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.3 Cg_endo -69.8 166.07 75.1 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.344 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -99.74 63.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.49 -151.04 22.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -88.45 146.96 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.81 135.41 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.46 140.2 38.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.01 129.57 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.9 125.95 51.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.403 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -126.06 177.0 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 t -132.72 154.66 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -43.42 118.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt 64.49 39.5 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.482 ' H ' HG22 ' A' ' 75' ' ' VAL . 15.8 tp10 -98.72 159.73 14.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.07 104.25 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.487 ' CG2' HD13 ' A' ' 72' ' ' LEU . 32.8 m -102.96 162.21 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.751 HG22 HG22 ' A' ' 71' ' ' VAL . 93.4 t -142.52 106.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.627 HD22 HD23 ' A' ' 70' ' ' LEU . 5.8 mp -86.2 144.07 27.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.5 m -116.81 123.06 46.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.45 ' C ' HG23 ' A' ' 67' ' ' VAL . 4.4 t -142.45 106.11 4.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.572 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.7 tt0 -95.9 152.59 18.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.8 mt -125.11 156.28 38.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 t -70.92 -18.1 62.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -130.77 144.46 53.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.862 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.74 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -82.68 37.35 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.09 113.19 24.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -80.99 134.74 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.644 HG12 ' HB ' ' A' ' 87' ' ' ILE . 15.8 m -129.38 173.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.475 ' NE ' ' HB2' ' A' ' 52' ' ' GLU . 17.0 ttt180 -151.76 132.04 13.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.714 ' O ' HG22 ' A' ' 53' ' ' VAL . 64.7 m95 -93.28 131.26 38.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.4 p -121.82 134.87 54.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -112.78 95.63 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 74.99 30.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.8 -33.67 6.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.49 151.75 30.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.475 ' HB2' ' NE ' ' A' ' 45' ' ' ARG . 62.7 tt0 -91.85 111.82 23.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 46' ' ' TRP . 17.3 m -52.7 141.34 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.7 p -117.3 134.59 60.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -43.06 148.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.466 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -172.99 168.44 2.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.901 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.466 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.2 Cg_endo -69.69 2.67 3.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.65 2.234 . . . . 0.0 112.36 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.05 -13.8 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.699 HD21 HD21 ' A' ' 61' ' ' LEU . 7.7 tt -135.07 103.85 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.3 mt -95.48 129.57 42.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.699 HD21 HD21 ' A' ' 59' ' ' LEU . 84.2 mt -102.26 108.44 19.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' ARG . 91.0 mm-40 -93.68 154.02 18.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -140.4 116.32 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.586 ' HB3' HG13 ' A' ' 67' ' ' VAL . 5.4 tt0 -93.09 -177.86 4.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.58 -59.1 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.862 HG22 ' HA ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -134.6 5.55 3.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.586 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.3 p -126.62 118.79 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -82.35 143.7 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 62' ' ' GLN . 38.1 mtm180 -131.17 141.16 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.627 HD23 HD22 ' A' ' 33' ' ' LEU . 6.4 tp -115.73 100.01 7.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.751 HG22 HG22 ' A' ' 32' ' ' VAL . 78.6 t -98.49 136.89 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.487 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -120.1 108.27 38.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -10.5 28.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.24 106.54 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.156 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.482 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.8 m -101.22 174.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -142.63 145.98 34.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.607 HD23 HG12 ' A' ' 98' ' ' VAL . 62.6 mt -47.4 -36.47 9.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.4 -37.76 80.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -55.69 -33.45 64.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.9 p -56.4 114.8 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -163.16 -118.24 0.44 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -132.83 99.9 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -85.19 107.12 17.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -107.73 116.26 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.42 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 18.2 t -95.12 107.22 19.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -101.38 140.48 35.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.644 ' HB ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -112.43 -60.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.41 ' H ' HG23 ' A' ' 87' ' ' ILE . 1.2 t70 -134.96 -72.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -119.89 -9.38 9.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -112.43 168.02 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.5 p -147.19 142.92 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.72 128.07 51.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.8 t -85.95 125.3 33.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -131.56 99.97 4.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.3 m -80.43 124.45 28.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.2 t -128.49 92.49 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.5 m -91.05 122.79 34.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.607 HG12 HD23 ' A' ' 77' ' ' LEU . 61.9 t -105.07 143.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.3 p -133.29 173.51 11.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -75.38 132.84 75.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 162.91 40.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.242 . . . . 0.0 112.35 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.225 . . . . 0.0 112.335 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.702 ' HB3' HD13 ' A' ' 87' ' ' ILE . 56.5 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.691 0.281 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.418 ' CD1' ' C ' ' A' ' 91' ' ' SER . 15.5 mt -71.19 102.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.424 HG12 ' C ' ' A' ' 36' ' ' GLU . 11.1 p -79.34 -28.95 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -160.3 146.42 11.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.655 0.741 . . . . 0.0 110.963 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.9 Cg_endo -69.8 164.77 78.5 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.36 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -100.65 63.31 1.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.29 -153.27 25.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -91.0 143.63 26.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -130.73 129.02 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -100.04 135.29 41.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.1 t -139.78 132.13 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.27 127.4 54.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -123.86 176.99 5.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.449 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.5 t -138.18 158.03 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -42.71 111.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 mt 67.69 45.36 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' CB ' ' H ' ' A' ' 26' ' ' VAL . 30.8 tp10 -100.37 160.18 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -102.26 101.56 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.461 ' CG2' HD13 ' A' ' 72' ' ' LEU . 19.2 m -100.0 157.76 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -139.94 105.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mp -89.68 131.92 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.2 m -107.54 119.41 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.446 ' C ' HG23 ' A' ' 67' ' ' VAL . 2.6 t -137.89 108.77 6.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.9 tt0 -96.19 161.32 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.785 HD11 ' CG1' ' A' ' 44' ' ' VAL . 35.4 mt -134.05 154.29 51.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.0 p -79.22 2.98 19.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.3 mmt180 -142.34 138.0 16.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.906 ' HA ' HG22 ' A' ' 66' ' ' THR . 54.0 Cg_endo -69.75 -50.43 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.296 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.6 p-90 -84.15 30.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.82 114.05 26.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -80.93 138.24 36.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.785 ' CG1' HD11 ' A' ' 37' ' ' LEU . 5.5 m -123.27 166.79 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.443 ' NH1' ' OE1' ' A' ' 52' ' ' GLU . 54.1 ttm-85 -150.48 126.65 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -92.65 141.77 28.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.3 p -136.08 130.63 33.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -106.43 100.53 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.2 t0 74.09 25.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.96 -33.87 6.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -80.97 147.0 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.443 ' OE1' ' NH1' ' A' ' 45' ' ' ARG . 8.6 tt0 -82.94 125.04 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 m -64.88 135.33 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.0 141.22 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -48.19 148.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.533 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 1.1 p -171.52 166.71 4.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 54.2 Cg_endo -69.78 4.31 2.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.627 2.218 . . . . 0.0 112.382 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -123.68 -4.11 8.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.71 HD21 HD21 ' A' ' 61' ' ' LEU . 8.1 tt -143.39 104.97 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 mt -99.79 126.3 45.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.71 HD21 HD21 ' A' ' 59' ' ' LEU . 76.5 mt -95.21 112.75 24.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -101.39 151.07 22.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -139.65 119.74 13.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.67 ' HB3' HG13 ' A' ' 67' ' ' VAL . 2.1 tp10 -94.23 179.44 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -38.82 -65.83 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.906 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.0 OUTLIER -127.96 4.69 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.67 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.2 p -125.25 123.65 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -86.96 148.76 25.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -138.19 142.34 40.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.623 HD13 HD23 ' A' ' 61' ' ' LEU . 5.8 tp -115.44 107.16 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.5 t -104.28 137.35 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.0 mp -123.17 105.38 34.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.72 -14.49 36.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.565 ' O ' ' HB1' ' A' ' 58' ' ' ALA . . . -160.56 105.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.42 HG12 ' HB3' ' A' ' 72' ' ' LEU . 1.2 m -101.92 178.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.41 ' N ' HG23 ' A' ' 75' ' ' VAL . 28.9 mm-40 -149.16 156.03 41.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.683 HD23 HG12 ' A' ' 98' ' ' VAL . 28.8 mt -53.79 -30.27 44.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -79.32 -25.03 42.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -78.31 5.54 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 t -95.98 154.51 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 154.66 -117.83 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -129.4 106.09 8.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -87.84 107.03 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -104.76 122.87 46.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 21.3 t -101.25 107.44 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -101.22 134.86 43.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.702 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.55 -58.63 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.554 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 5.6 t0 -135.01 -72.23 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -118.64 -24.13 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -101.94 169.55 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.418 ' C ' ' CD1' ' A' ' 14' ' ' ILE . 57.9 p -144.46 151.09 38.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -103.53 136.7 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.1 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 t -92.3 122.97 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -135.01 100.19 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.8 m -81.76 120.5 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.0 t -128.59 94.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 97.3 m -91.7 122.86 34.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.683 HG12 HD23 ' A' ' 77' ' ' LEU . 72.5 t -104.54 142.95 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.9 p -141.11 173.66 11.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -76.25 134.47 70.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.74 40.92 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.609 ' HB3' HD13 ' A' ' 87' ' ' ILE . 61.8 m95 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.735 0.303 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.464 HG21 ' HB2' ' A' ' 92' ' ' ALA . 11.4 mt -66.44 94.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.423 HG12 ' C ' ' A' ' 36' ' ' GLU . 14.2 p -70.18 -33.53 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -156.67 145.98 15.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.897 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.0 Cg_endo -69.75 171.56 53.07 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.372 -0.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t -104.41 63.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.96 -151.35 22.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -89.57 145.84 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.7 t -134.13 139.62 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -107.81 139.22 42.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -142.08 131.26 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.2 138.68 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.725 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -136.21 177.1 8.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.409 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.7 t -138.32 159.63 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.463 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 2.0 tpt180 -45.29 111.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt 68.01 44.68 1.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 23.6 tp10 -100.29 162.53 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 4.0 tmt_? -106.9 103.11 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.435 ' CG2' HD13 ' A' ' 72' ' ' LEU . 34.2 m -101.07 162.21 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.625 HG22 HG22 ' A' ' 71' ' ' VAL . 94.3 t -141.08 105.44 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.569 HD22 HD23 ' A' ' 70' ' ' LEU . 5.1 mp -83.78 134.9 34.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.949 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.472 HG22 ' CE1' ' A' ' 16' ' ' TYR . 22.1 m -108.51 113.21 26.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.401 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.7 t -137.35 105.08 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.0 tt0 -95.74 161.1 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.673 HD11 ' CG1' ' A' ' 44' ' ' VAL . 28.2 mt -130.57 161.29 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 t -84.94 8.24 18.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.619 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 18.1 mmt180 -148.68 140.15 14.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.587 0.708 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.6 Cg_endo -69.77 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.58 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.1 p-90 -83.51 26.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.619 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -89.18 110.62 21.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.062 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -80.76 143.43 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.673 ' CG1' HD11 ' A' ' 37' ' ' LEU . 11.3 m -126.17 163.3 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 -139.88 129.74 24.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.515 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 75.9 m95 -95.78 143.07 27.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.7 p -140.79 132.82 27.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 51' ' ' GLU . 24.5 tttm -106.82 108.4 19.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.6 t70 59.49 48.93 9.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 -29.69 4.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.441 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' LYS . 23.7 mt-10 -82.85 161.74 21.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -98.83 134.16 42.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 46' ' ' TRP . 33.8 m -78.67 131.96 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -109.03 137.51 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -44.87 147.96 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.438 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.38 167.13 4.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.699 0.761 . . . . 0.0 110.835 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.4 Cg_endo -69.74 3.61 2.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.53 -11.81 8.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.72 HD21 HD21 ' A' ' 61' ' ' LEU . 8.1 tt -134.99 98.93 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.435 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 64.5 mt -93.17 126.56 38.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.72 HD21 HD21 ' A' ' 59' ' ' LEU . 82.0 mt -96.79 112.6 24.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 69' ' ' ARG . 69.1 mm-40 -98.38 148.28 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.51 125.66 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.594 ' HB3' HG13 ' A' ' 67' ' ' VAL . 5.2 tt0 -101.36 -174.91 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -48.85 -71.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 40' ' ' PRO . 5.2 p -114.89 -0.33 13.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -125.03 143.94 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -107.06 156.12 19.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 62' ' ' GLN . 35.6 mtm180 -143.18 145.58 32.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.611 HD13 HD23 ' A' ' 61' ' ' LEU . 3.9 tp -119.46 99.61 6.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.625 HG22 HG22 ' A' ' 32' ' ' VAL . 77.8 t -95.9 137.98 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.435 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -122.62 104.23 36.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.435 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 54.2 Cg_endo -69.72 -11.8 31.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.34 107.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.428 HG23 HG11 ' A' ' 98' ' ' VAL . 1.3 m -105.5 172.02 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -142.56 144.26 32.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.463 ' HG ' ' CD ' ' A' ' 27' ' ' ARG . 48.3 mt -45.71 -35.32 4.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -67.13 -39.78 86.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.11 -34.5 66.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.9 p -49.67 124.68 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.53 -124.57 0.85 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -130.19 103.48 6.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -83.95 107.29 16.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.94 127.91 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.9 t -111.07 107.17 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.56 137.81 39.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -110.43 -55.43 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -134.96 -72.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -119.41 -24.47 6.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -101.46 169.02 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.7 p -145.04 148.77 34.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.464 ' HB2' HG21 ' A' ' 14' ' ' ILE . . . -103.37 135.98 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -93.69 128.11 39.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -134.8 99.87 4.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.4 m -80.37 124.82 29.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.9 t -130.7 96.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.3 m -93.41 116.15 28.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.725 HG22 ' HB3' ' A' ' 25' ' ' ALA . 48.9 t -99.65 139.07 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.8 p -131.73 -178.79 5.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -86.21 137.1 35.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.7 65.44 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.402 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.274 . . . . 0.0 112.299 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.761 ' HB3' HD13 ' A' ' 87' ' ' ILE . 59.1 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.753 0.311 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.2 mt -74.28 101.99 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 36' ' ' GLU . 12.4 p -80.37 -30.75 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -162.09 145.17 8.99 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.696 0.76 . . . . 0.0 110.896 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.69 ' HG3' HG21 ' A' ' 21' ' ' VAL . 53.6 Cg_endo -69.76 167.41 71.11 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.348 -0.046 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.9 p -112.47 66.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.41 -131.34 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -107.91 145.4 33.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.69 HG21 ' HG3' ' A' ' 17' ' ' PRO . 87.0 t -134.56 116.26 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -98.67 135.0 40.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -138.51 139.72 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.28 134.74 54.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.68 173.24 11.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 t -129.35 160.61 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.402 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 7.1 tpt180 -47.31 119.29 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 mt 64.32 40.59 6.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 35.7 tp10 -102.44 159.65 15.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.38 119.14 38.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 72' ' ' LEU . 22.4 m -115.93 165.75 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 71' ' ' VAL . 85.4 t -144.04 105.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.643 HD22 HD23 ' A' ' 70' ' ' LEU . 5.1 mp -81.9 142.51 32.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 m -113.37 114.82 27.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -139.03 106.15 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.429 ' O ' HG12 ' A' ' 15' ' ' VAL . 11.2 tt0 -95.76 156.26 16.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.645 HD11 ' CG1' ' A' ' 44' ' ' VAL . 31.3 mt -128.4 159.51 35.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.76 13.04 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.519 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 22.4 mmt180 -150.04 138.56 12.44 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.566 0.698 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.5 Cg_endo -69.8 -47.48 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.313 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.519 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.5 p-90 -88.43 33.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.61 110.33 21.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -83.25 129.82 35.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 37' ' ' LEU . 14.7 m -116.78 164.21 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -144.6 123.4 12.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.564 ' O ' HG22 ' A' ' 53' ' ' VAL . 42.6 m95 -90.01 134.82 34.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.7 p -125.27 131.19 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -101.04 93.68 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 73.55 36.6 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.48 -29.37 9.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -80.96 143.98 32.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -83.96 112.47 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 46' ' ' TRP . 33.1 m -52.55 145.8 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.1 p -121.31 123.12 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.4 mt-10 -35.49 147.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -171.88 167.11 3.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.748 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.74 6.28 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.46 -13.97 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.816 HD21 HD21 ' A' ' 61' ' ' LEU . 7.2 tt -134.97 99.8 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.449 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 52.1 mt -93.5 125.86 38.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.816 HD21 HD21 ' A' ' 59' ' ' LEU . 59.3 mt -96.69 112.07 23.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.41 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 57.1 mm-40 -93.22 146.77 23.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HG3' ' C ' ' A' ' 62' ' ' GLN . 37.5 mttt -140.77 117.47 10.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.698 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.1 tt0 -96.82 -174.76 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -50.71 -71.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 40' ' ' PRO . 7.1 p -115.15 2.78 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.698 HG13 ' HB3' ' A' ' 64' ' ' GLU . 1.6 p -127.21 142.29 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -112.0 155.07 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -146.64 150.28 35.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 61' ' ' LEU . 6.1 tp -121.14 106.11 11.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 32' ' ' VAL . 92.0 t -101.4 136.71 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 71' ' ' VAL . 6.7 mp -119.7 102.03 47.69 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.603 0.716 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.449 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 53.6 Cg_endo -69.76 -8.69 24.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.37 105.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 76' ' ' GLN . 1.1 m -102.71 178.33 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.417 ' N ' HG23 ' A' ' 75' ' ' VAL . 8.0 mp0 -147.54 150.52 34.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.427 HD23 HG12 ' A' ' 98' ' ' VAL . 61.0 mt -52.86 -34.87 56.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.12 -37.27 75.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.17 -35.4 67.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.4 p -47.44 117.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.39 -132.47 1.45 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.99 105.14 10.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -86.36 107.4 17.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -107.83 120.32 41.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 11.4 t -98.46 107.15 19.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -100.79 136.7 40.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.761 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -111.06 -57.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.47 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 7.7 t0 -135.0 -72.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -118.45 -24.48 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -102.75 170.35 8.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.2 p -146.03 151.47 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.51 129.66 50.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.2 t -85.78 124.7 32.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -134.1 99.91 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.24 25.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.0 t -126.73 105.32 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 80.9 m -104.97 124.45 49.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.427 HG12 HD23 ' A' ' 77' ' ' LEU . 57.5 t -106.25 149.71 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.1 p -143.31 179.97 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -83.55 136.21 42.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 162.75 40.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.382 179.888 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.71 ' HB3' HD13 ' A' ' 87' ' ' ILE . 39.4 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.722 0.296 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.3 mt -74.69 90.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 36' ' ' GLU . 10.8 p -68.43 -21.48 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.549 ' CG ' ' HA ' ' A' ' 17' ' ' PRO . 1.3 t80 -174.31 145.0 0.99 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.675 0.75 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.894 ' HG3' HG21 ' A' ' 21' ' ' VAL . 54.0 Cg_endo -69.81 163.95 80.64 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.353 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -109.74 66.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.52 172.62 14.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 130.05 23.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.356 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.894 HG21 ' HG3' ' A' ' 17' ' ' PRO . 89.4 t -111.66 139.48 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -121.51 134.2 55.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -145.38 141.52 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.63 142.27 46.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.83 176.8 8.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -133.07 160.6 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -48.33 114.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 mt 69.84 43.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.461 ' O ' HG13 ' A' ' 75' ' ' VAL . 5.3 tp10 -103.25 162.03 13.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.42 110.11 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.439 ' CG2' HD13 ' A' ' 72' ' ' LEU . 34.4 m -108.79 162.85 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.484 HG22 HG22 ' A' ' 71' ' ' VAL . 90.2 t -142.3 105.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.726 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 4.3 mp -83.18 132.93 35.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.3 m -106.84 113.62 27.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.38 105.23 6.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.53 ' O ' HG12 ' A' ' 15' ' ' VAL . 12.6 tt0 -95.83 152.67 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.726 HD11 ' CG1' ' A' ' 44' ' ' VAL . 50.2 mt -125.65 154.2 42.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 p -81.71 5.8 17.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.743 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 11.1 mmt180 -142.76 137.83 15.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.853 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.627 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.5 Cg_endo -69.8 -49.68 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.564 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.8 p-90 -83.41 21.39 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.743 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -83.81 112.91 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -86.07 140.38 30.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.726 ' CG1' HD11 ' A' ' 37' ' ' LEU . 16.4 m -127.27 165.24 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -147.38 125.8 12.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.726 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 52.1 m95 -87.89 133.47 33.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.3 p -122.37 131.36 53.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 83' ' ' TYR . 14.5 tttt -106.26 97.31 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 71.68 34.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.93 -27.25 17.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -83.41 151.66 25.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -87.45 115.91 25.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 46' ' ' TRP . 34.4 m -45.01 149.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 54' ' ' VAL . 9.8 p -125.57 113.19 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' VAL . 6.0 mt-10 -33.77 147.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.469 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -170.29 168.46 4.22 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.664 0.745 . . . . 0.0 110.865 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.1 Cg_endo -69.79 1.28 4.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -117.82 -10.1 10.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.747 HD21 HD21 ' A' ' 61' ' ' LEU . 6.8 tt -138.44 111.29 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.6 mt -105.1 125.76 51.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.855 HD23 HD13 ' A' ' 70' ' ' LEU . 62.4 mt -96.01 111.19 23.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 75.7 mm-40 -94.97 150.93 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' HG3' ' C ' ' A' ' 62' ' ' GLN . 46.9 mttt -144.79 117.25 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.655 ' HB3' HG13 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -96.49 -174.37 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -48.41 -71.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 40' ' ' PRO . 7.2 p -116.94 3.74 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.655 HG13 ' HB3' ' A' ' 64' ' ' GLU . 1.8 p -126.98 133.62 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.0 mmt-85 -106.66 151.21 25.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 62' ' ' GLN . 58.4 mtm180 -144.21 150.89 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.855 HD13 HD23 ' A' ' 61' ' ' LEU . 3.2 tp -121.03 101.67 7.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.484 HG22 HG22 ' A' ' 32' ' ' VAL . 92.6 t -95.86 143.92 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.439 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.1 mp -126.18 107.43 24.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.17 34.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.404 ' O ' ' HB1' ' A' ' 58' ' ' ALA . . . -164.66 107.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 29' ' ' GLU . 1.2 m -102.66 175.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -144.53 150.98 38.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.57 -33.48 46.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -35.3 75.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.82 -34.67 74.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -50.37 118.8 3.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.69 -124.24 0.7 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -131.67 100.0 4.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 48' ' ' LYS . 16.0 m-85 -83.93 111.16 19.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 93' ' ' SER . 2.0 mm? -110.45 110.02 20.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.546 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 35.0 t -88.51 106.16 18.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.74 155.43 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.754 HG23 ' H ' ' A' ' 88' ' ' ASP . 0.5 OUTLIER -130.19 -74.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.754 ' H ' HG23 ' A' ' 87' ' ' ILE . 3.7 t70 -123.68 -71.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -121.73 -10.48 8.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -107.53 169.52 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.431 ' HB2' HD12 ' A' ' 84' ' ' LEU . 3.4 p -147.16 137.97 23.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -103.47 122.97 46.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.447 ' HA ' HD22 ' A' ' 84' ' ' LEU . 20.3 t -85.77 131.37 34.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.48 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 20.1 m-85 -135.01 99.58 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.6 m -80.04 103.48 9.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.08 98.54 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.5 m -95.58 135.83 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 19.1 t -117.33 135.62 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.6 p -125.54 -179.72 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -85.85 136.48 36.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 155.77 65.14 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.713 2.275 . . . . 0.0 112.338 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.669 ' CE3' HD11 ' A' ' 87' ' ' ILE . 37.3 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.804 0.335 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.9 mt -76.06 102.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.498 HG12 ' C ' ' A' ' 36' ' ' GLU . 12.0 p -80.0 -22.57 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.565 ' HA ' ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -168.6 144.19 2.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.73 165.55 76.26 Favored 'Cis proline' 0 C--O 1.231 0.144 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.322 -0.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -99.29 62.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.54 -150.83 22.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -89.63 148.44 23.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -135.12 148.25 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -115.3 138.69 50.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.0 t -143.18 128.13 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.93 145.25 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -145.25 176.26 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.452 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.2 t -136.08 160.63 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.061 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 ttp85 -45.39 111.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt 68.72 44.18 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 9.5 tp10 -99.33 162.17 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -105.21 104.49 14.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 m -105.57 159.07 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.903 HG22 HG22 ' A' ' 71' ' ' VAL . 72.3 t -141.76 105.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.517 HD22 HD23 ' A' ' 70' ' ' LEU . 4.2 mp -84.54 140.67 31.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.0 m -113.32 119.42 37.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.432 ' C ' HG23 ' A' ' 67' ' ' VAL . 3.5 t -138.25 106.82 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.498 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.8 tt0 -95.93 154.89 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.469 HD11 ' CG1' ' A' ' 44' ' ' VAL . 32.8 mt -129.43 155.01 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.9 p -78.97 2.54 19.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 39.3 mmt-85 -139.5 136.49 17.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.833 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.5 Cg_endo -69.78 -51.09 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.363 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.3 p-90 -84.16 29.25 0.57 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.91 109.91 20.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.16 136.31 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' A' ' 87' ' ' ILE . 30.1 m -123.77 175.62 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -154.25 125.32 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 60.2 m95 -86.3 134.06 33.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.8 p -129.0 128.51 43.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 51' ' ' GLU . 17.0 tttm -101.52 100.78 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 64.35 43.46 4.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.6 -33.0 4.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.444 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' LYS . 19.8 mt-10 -78.38 149.04 33.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.72 128.61 36.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.03 140.6 18.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -118.98 128.68 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -39.94 145.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.456 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -167.67 168.01 6.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.701 0.762 . . . . 0.0 110.867 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.456 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.0 Cg_endo -69.78 3.3 2.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.722 2.281 . . . . 0.0 112.291 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.46 -3.26 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 59' ' ' LEU . 7.2 tt -143.73 105.02 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -98.89 130.13 45.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.596 HD21 HD21 ' A' ' 59' ' ' LEU . 62.1 mt -99.69 111.69 24.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' ARG . 64.2 mm-40 -93.35 148.48 22.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.78 120.29 12.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.673 ' HB3' HG13 ' A' ' 67' ' ' VAL . 1.1 tp10 -98.85 -176.43 3.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -43.85 -71.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.833 HG22 ' HA ' ' A' ' 40' ' ' PRO . 0.8 OUTLIER -120.29 6.19 10.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.673 HG13 ' HB3' ' A' ' 64' ' ' GLU . 1.7 p -127.34 131.55 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -95.47 153.97 17.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' GLN . 26.9 mtt180 -143.43 147.44 34.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.577 HD13 HD23 ' A' ' 61' ' ' LEU . 7.9 tp -119.88 107.51 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.903 HG22 HG22 ' A' ' 32' ' ' VAL . 52.9 t -104.65 136.0 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 71' ' ' VAL . 6.8 mp -121.0 107.29 37.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.591 0.71 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.2 Cg_endo -69.71 -15.11 37.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.372 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.23 106.74 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.44 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.3 m -104.88 159.87 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -132.42 149.89 52.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.3 mt -49.21 -28.19 4.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -68.26 -34.58 76.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -36.78 77.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.9 p -43.32 115.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.07 -127.53 0.99 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -133.22 104.9 6.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -84.73 109.65 18.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.42 113.54 26.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.529 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 44.1 t -94.37 106.89 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -96.01 149.57 21.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.77 HG23 ' H ' ' A' ' 88' ' ' ASP . 0.7 OUTLIER -123.92 -70.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.77 ' H ' HG23 ' A' ' 87' ' ' ILE . 4.7 t0 -124.61 -72.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -121.63 -15.11 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -106.01 174.37 5.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.4 p -147.72 146.66 29.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.529 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -103.71 128.5 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.2 t -87.4 130.9 34.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -139.93 104.97 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.2 m -86.34 120.28 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 68.3 t -125.84 105.07 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 83.1 m -102.92 119.55 39.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 25' ' ' ALA . 58.5 t -102.03 145.91 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.7 p -136.78 -176.84 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -90.16 134.98 30.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.74 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 161.46 45.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.365 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.758 ' HB3' HD13 ' A' ' 87' ' ' ILE . 71.5 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.716 0.293 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.448 HG21 ' HB2' ' A' ' 92' ' ' ALA . 14.9 mt -70.65 94.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.402 HG12 ' C ' ' A' ' 36' ' ' GLU . 13.4 p -70.53 -29.09 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -161.26 145.87 10.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.2 Cg_endo -69.68 172.38 48.97 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.385 -0.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p -106.65 64.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.62 -145.4 15.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -96.8 145.59 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.6 t -134.04 133.97 55.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -103.5 139.49 38.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.3 t -142.51 132.42 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.51 133.88 50.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.744 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -129.66 176.57 7.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -136.92 158.15 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -43.78 112.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt 65.74 46.01 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 17.8 tp10 -101.36 160.03 14.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.88 101.84 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.432 ' CG2' HD13 ' A' ' 72' ' ' LEU . 17.5 m -100.16 159.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 71' ' ' VAL . 97.4 t -142.05 106.94 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.489 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.1 mp -85.36 137.9 32.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -110.2 114.41 27.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -138.39 108.79 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 37' ' ' LEU . 11.7 tt0 -95.61 165.62 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.53 HD11 HG13 ' A' ' 44' ' ' VAL . 43.6 mt -136.57 160.76 37.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.3 p -87.68 8.19 26.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.583 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.1 mmt180 -146.51 139.73 14.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 0.0 110.844 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.558 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.4 Cg_endo -69.83 -50.46 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.583 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.2 p-90 -84.1 29.15 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -94.02 109.77 21.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -85.19 144.87 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.53 HG13 HD11 ' A' ' 37' ' ' LEU . 21.5 m -121.2 165.09 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -139.91 118.92 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.505 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 59.8 m95 -89.81 132.28 35.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.9 p -125.93 131.43 52.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 15.9 tttm -102.87 93.59 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 74.92 25.07 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.21 -33.55 6.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 6.9 pt-20 -79.08 141.96 36.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -79.51 121.79 25.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 m -63.51 135.72 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.88 140.76 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -51.09 148.2 4.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.443 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.4 167.49 3.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.863 -179.764 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.5 Cg_endo -69.76 4.5 2.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.47 -6.44 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.766 HD21 HD21 ' A' ' 61' ' ' LEU . 7.8 tt -141.92 105.0 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 69.6 mt -97.85 127.87 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.766 HD21 HD21 ' A' ' 59' ' ' LEU . 78.7 mt -99.91 110.45 22.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -91.87 147.83 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -139.51 115.95 10.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.958 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.615 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.7 tt0 -93.02 -175.41 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.52 -66.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 40' ' ' PRO . 2.2 p -119.55 -0.78 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.4 p -123.53 145.52 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.1 mmt-85 -112.54 156.09 23.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -147.4 147.12 29.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.636 HD13 HD23 ' A' ' 61' ' ' LEU . 5.8 tp -116.6 106.36 13.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 32' ' ' VAL . 85.1 t -102.85 134.03 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.432 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.2 mp -118.78 107.62 42.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.78 -14.74 36.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.358 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.01 106.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.96 169.8 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -137.44 142.78 41.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.469 HD23 HG12 ' A' ' 98' ' ' VAL . 53.1 mt -44.81 -38.38 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -36.2 83.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -56.25 -36.11 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.7 p -44.88 114.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.12 -139.48 2.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -116.26 101.19 8.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -83.92 103.25 13.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.87 125.42 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.505 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 43.8 t -101.85 107.43 18.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -102.37 129.96 48.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.758 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -105.64 -67.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.59 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 1.9 t70 -122.74 -71.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -122.21 -22.06 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -100.26 168.47 9.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.7 p -145.79 146.9 31.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.448 ' HB2' HG21 ' A' ' 14' ' ' ILE . . . -104.32 133.14 49.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -89.59 125.23 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -133.77 99.99 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.7 m -80.28 122.94 27.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 82.7 t -127.04 95.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.7 m -93.93 116.14 28.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.744 HG22 ' HB3' ' A' ' 25' ' ' ALA . 58.8 t -101.33 137.82 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.5 p -132.83 178.14 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -80.58 137.38 51.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.63 30.31 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.369 179.945 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.599 ' HB3' HD13 ' A' ' 87' ' ' ILE . 61.8 m95 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.757 0.313 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.1 mt -71.41 92.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.449 HG12 ' C ' ' A' ' 36' ' ' GLU . 9.7 p -69.41 -28.9 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -164.4 145.65 6.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.752 0.787 . . . . 0.0 110.886 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.76 165.51 76.44 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.34 -0.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -109.92 66.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.37 -151.56 23.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -87.46 145.8 26.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.468 HG21 ' HG3' ' A' ' 17' ' ' PRO . 86.6 t -135.04 123.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -101.52 137.7 39.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.8 t -142.39 128.15 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.32 123.83 50.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.96 172.78 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.433 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 1.5 t -124.41 158.6 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -45.17 121.59 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt 62.59 35.46 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 11.1 tp10 -96.66 155.92 16.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -100.73 121.44 41.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.404 ' CG2' HD13 ' A' ' 72' ' ' LEU . 27.1 m -118.01 165.19 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.698 HG22 HG22 ' A' ' 71' ' ' VAL . 89.9 t -144.46 106.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.514 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.4 mp -83.85 140.54 31.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.0 m -112.49 118.28 34.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.5 t -140.25 105.95 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.449 ' C ' HG12 ' A' ' 15' ' ' VAL . 19.1 tt0 -95.87 160.9 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.493 HD11 ' CG1' ' A' ' 44' ' ' VAL . 33.6 mt -132.13 155.58 47.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.1 t -80.61 4.73 17.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.527 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 26.9 mmt180 -144.51 138.9 15.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.87 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.74 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.527 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.0 p-90 -84.77 30.94 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -95.29 110.8 22.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.065 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HA ' ' NH2' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -83.36 145.87 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.493 ' CG1' HD11 ' A' ' 37' ' ' LEU . 16.9 m -130.24 164.65 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -142.88 123.96 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 55.0 m95 -88.58 130.34 35.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.2 p -122.86 128.01 49.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -102.22 93.53 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 71.53 38.7 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.64 -32.79 5.97 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.436 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -79.29 145.98 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -86.08 118.65 25.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.4 m -56.2 139.28 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 54' ' ' VAL . 14.9 p -118.75 126.35 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -38.6 147.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.31 167.77 4.52 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.655 0.741 . . . . 0.0 110.882 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.9 Cg_endo -69.73 2.38 3.56 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.73 2.287 . . . . 0.0 112.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.09 -8.97 9.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.739 HD21 HD21 ' A' ' 61' ' ' LEU . 8.0 tt -138.82 106.34 5.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.6 mt -98.28 128.51 44.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.739 HD21 HD21 ' A' ' 59' ' ' LEU . 67.8 mt -99.6 108.86 21.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -91.9 146.25 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -137.22 119.67 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.619 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.3 tt0 -96.75 -175.61 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.34 -65.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.87 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.3 p -122.62 0.19 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.619 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.4 p -123.12 140.97 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.457 ' NH1' HG22 ' A' ' 44' ' ' VAL . 17.7 mmt85 -107.13 154.88 20.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -146.9 146.66 30.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.722 HD13 HD23 ' A' ' 61' ' ' LEU . 7.8 tp -118.71 111.95 19.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.698 HG22 HG22 ' A' ' 32' ' ' VAL . 99.7 t -108.29 134.77 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.1 mp -117.83 104.49 48.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.3 Cg_endo -69.73 -11.28 30.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.726 2.284 . . . . 0.0 112.35 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.15 105.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 29' ' ' GLU . 1.1 m -100.58 177.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.4 ' N ' HG23 ' A' ' 75' ' ' VAL . 12.7 mp0 -146.86 145.52 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.7 mt -48.76 -31.85 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -69.82 -38.39 76.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -55.27 -35.81 65.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.6 p -44.96 115.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.46 -128.14 0.96 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -130.96 103.08 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.392 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -83.9 108.08 16.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -108.3 115.06 29.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.568 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 42.7 t -95.93 107.2 19.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -102.17 141.13 35.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.599 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -112.07 -57.99 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' H ' HG23 ' A' ' 87' ' ' ILE . 6.9 t0 -134.98 -72.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -119.39 -16.36 8.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.517 ' CD ' ' N ' ' A' ' 90' ' ' GLU . 4.0 mp0 -106.27 168.13 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.1 p -147.19 144.9 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.42 127.05 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.1 t -85.6 128.5 34.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -133.9 100.08 4.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.7 m -79.74 118.08 21.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.5 t -126.41 101.22 7.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 63.7 m -102.87 119.65 39.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.7 t -97.78 150.38 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -141.67 178.79 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -85.29 133.25 42.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.59 18.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p 46.04 42.17 9.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -116.38 146.04 42.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.95 -158.27 0.14 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -157.9 111.24 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 110.874 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -136.42 173.73 11.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.64 145.92 9.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -173.57 159.39 3.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -63.02 88.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.0 p -125.53 139.01 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -99.28 -61.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 p -128.61 108.02 10.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.725 ' HB3' HD13 ' A' ' 87' ' ' ILE . 68.3 m95 -58.54 -47.33 84.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.1 mt -74.45 94.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.4 p -74.05 -28.65 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -163.79 145.26 7.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.732 0.777 . . . . 0.0 110.898 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.0 Cg_endo -69.74 169.41 63.39 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.342 -0.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.4 t -104.57 64.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.11 -154.13 24.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -87.27 144.9 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.8 t -132.92 134.2 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -104.54 132.46 50.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.5 t -135.18 128.33 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.72 122.28 46.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.526 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -121.83 172.54 8.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -127.92 154.03 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -44.21 118.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.3 mt 65.76 38.63 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 26.2 tp10 -100.56 157.92 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -100.24 105.94 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.526 HG11 ' HB2' ' A' ' 25' ' ' ALA . 32.9 m -105.65 161.08 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 71' ' ' VAL . 94.2 t -141.77 106.59 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.722 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.1 mp -82.42 137.98 34.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.491 HG22 ' CE1' ' A' ' 16' ' ' TYR . 21.4 m -109.77 112.71 24.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -139.32 105.12 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' O ' HD23 ' A' ' 37' ' ' LEU . 9.6 tt0 -95.83 164.38 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.81 HD11 ' CG1' ' A' ' 44' ' ' VAL . 25.5 mt -135.63 159.32 41.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -86.42 10.07 16.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.605 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 61.6 mmt-85 -146.7 135.63 11.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 41' ' ' TRP . 53.8 Cg_endo -69.74 -49.66 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.499 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 1.5 p-90 -81.52 16.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -81.18 110.21 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -83.77 135.18 34.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.81 ' CG1' HD11 ' A' ' 37' ' ' LEU . 15.6 m -116.92 166.01 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -146.36 126.27 13.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.722 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 61.4 m95 -90.49 133.98 34.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.6 p -123.47 132.4 53.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' HD2' ' CZ ' ' A' ' 83' ' ' TYR . 14.9 tttm -113.85 106.41 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 66.96 45.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.62 -30.91 3.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' LYS . 4.1 mm-40 -84.49 161.88 20.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.72 135.91 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.402 HG21 ' HB2' ' A' ' 46' ' ' TRP . 7.0 m -67.09 140.34 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 p -117.85 131.23 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -46.65 146.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -169.14 167.63 5.52 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.709 0.766 . . . . 0.0 110.83 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.6 Cg_endo -69.76 4.03 2.43 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.38 -7.87 9.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.638 HD21 HD21 ' A' ' 61' ' ' LEU . 7.5 tt -140.32 108.19 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.3 mt -101.22 126.41 47.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.688 HD23 HD13 ' A' ' 70' ' ' LEU . 77.8 mt -95.48 110.72 22.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -93.46 143.81 25.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -136.0 119.73 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.667 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.4 tt0 -97.02 -175.07 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -49.93 -68.74 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 p -118.76 2.43 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.667 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -126.08 142.52 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.0 mmt-85 -110.37 156.06 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -149.17 147.47 28.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.688 HD13 HD23 ' A' ' 61' ' ' LEU . 7.1 tp -115.66 107.63 15.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 32' ' ' VAL . 92.7 t -102.12 138.23 27.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.419 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -123.55 107.21 31.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.565 0.698 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.75 -9.84 27.09 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.72 107.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -101.85 170.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -140.32 148.99 42.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.543 HD23 HG12 ' A' ' 98' ' ' VAL . 41.5 mt -48.69 -29.97 5.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -69.91 -36.74 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -57.72 -34.17 69.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.406 ' CB ' ' H ' ' A' ' 98' ' ' VAL . 63.5 p -51.14 116.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.82 -124.71 0.76 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -131.33 104.52 7.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.377 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.472 ' CZ ' ' HD2' ' A' ' 48' ' ' LYS . 27.7 m-85 -89.01 109.37 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.62 111.9 23.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 42.4 t -89.22 107.14 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -102.38 137.89 40.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.725 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.82 -59.2 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -135.02 -72.42 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -120.06 -11.2 9.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' A' ' 90' ' ' GLU . 4.5 mp0 -111.76 168.88 9.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.9 p -147.18 146.73 29.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -103.53 133.04 49.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.2 t -86.14 123.13 31.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -131.93 99.86 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.1 m -83.35 119.22 24.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.8 t -125.1 92.99 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.6 m -91.38 122.43 33.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.543 HG12 HD23 ' A' ' 77' ' ' LEU . 61.2 t -106.29 133.35 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.3 p -128.3 174.79 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -74.73 134.18 75.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.662 0.744 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 168.67 20.89 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.11 17.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.262 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.1 p -51.77 128.74 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -134.3 -46.74 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.682 HD12 ' H ' ' A' ' 105' ' ' ILE . 5.3 mp -55.92 105.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 67.9 mt -127.29 105.15 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.106 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -110.75 130.99 55.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -139.09 153.09 47.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 169.99 163.46 24.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.71 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -56.54 100.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.2 t -69.74 150.71 46.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 p -124.61 91.83 3.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -100.92 154.61 18.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.03 162.04 28.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t -127.54 42.78 3.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m -89.47 159.07 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.03 59.63 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.2 p -139.47 149.11 43.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 111.158 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.81 42.79 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.8 t -102.25 139.32 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.0 m -85.61 -55.91 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.5 p -152.88 113.12 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.76 ' HB3' HD13 ' A' ' 87' ' ' ILE . 58.8 m95 -51.67 -50.13 61.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.5 mt -71.8 97.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.464 HG12 ' C ' ' A' ' 36' ' ' GLU . 9.3 p -73.91 -27.36 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -166.07 145.42 5.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.654 0.74 . . . . 0.0 110.966 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.4 Cg_endo -69.76 166.5 73.9 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.397 -0.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -104.99 64.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.0 -159.61 27.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -83.68 143.4 30.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -134.02 136.67 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -105.38 140.57 38.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -144.07 122.29 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.48 124.24 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.526 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -122.87 176.71 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.9 t -130.72 155.05 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -45.4 117.83 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt 65.61 39.28 5.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' H ' HG22 ' A' ' 75' ' ' VAL . 32.9 tp10 -99.68 157.62 16.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -97.48 105.99 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.425 ' CG2' HD13 ' A' ' 72' ' ' LEU . 16.6 m -106.86 157.76 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.794 HG22 HG22 ' A' ' 71' ' ' VAL . 98.7 t -140.22 107.17 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.468 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 4.2 mp -84.08 139.05 32.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.6 m -110.79 113.57 26.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.85 106.89 6.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.464 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.6 tt0 -95.96 159.59 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.544 HD11 ' CG1' ' A' ' 44' ' ' VAL . 44.3 mt -129.69 161.49 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.453 ' O ' ' NH1' ' A' ' 39' ' ' ARG . 5.4 t -87.15 10.44 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.66 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 49.9 mmt-85 -148.45 140.26 14.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.718 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.514 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.2 Cg_endo -69.76 -51.72 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.281 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.583 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 5.5 p-90 -84.33 23.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.66 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -82.72 109.88 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -85.19 135.08 34.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.587 HG12 ' HB ' ' A' ' 87' ' ' ILE . 28.2 m -120.46 173.74 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -150.92 126.37 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.468 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 56.8 m95 -90.39 142.46 27.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.429 HG22 ' HA ' ' A' ' 52' ' ' GLU . 40.7 p -135.16 127.21 29.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -100.79 100.54 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 64.73 37.01 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.64 -31.23 7.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -80.09 122.93 27.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' HA ' HG22 ' A' ' 47' ' ' THR . 49.6 tt0 -65.44 115.92 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.51 139.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 54' ' ' VAL . 14.4 p -118.9 128.55 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.3 mt-10 -38.44 147.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.447 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.23 167.59 4.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.4 Cg_endo -69.7 3.11 2.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.8 -7.36 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 61' ' ' LEU . 8.0 tt -140.44 105.17 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 70' ' ' LEU . 75.1 mt -98.79 129.21 45.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.788 HD23 HD13 ' A' ' 70' ' ' LEU . 75.7 mt -100.05 110.46 22.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -92.32 147.36 22.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -139.22 120.46 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.665 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.0 tt0 -99.54 -174.73 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.06 -71.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 40' ' ' PRO . 5.5 p -115.69 2.39 13.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.665 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -126.8 145.93 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -115.09 156.11 25.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.405 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 44.3 mtm180 -147.15 149.48 33.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.788 HD13 HD23 ' A' ' 61' ' ' LEU . 7.4 tp -118.98 102.29 8.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.794 HG22 HG22 ' A' ' 32' ' ' VAL . 77.9 t -99.03 138.65 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.459 HD12 ' C ' ' A' ' 71' ' ' VAL . 6.8 mp -122.5 110.99 31.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.3 Cg_endo -69.76 -11.23 30.41 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.96 110.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.465 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.5 m -103.9 169.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -139.71 145.6 38.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.554 HD23 HG12 ' A' ' 98' ' ' VAL . 48.4 mt -45.21 -34.66 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -38.18 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -54.91 -33.85 62.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.0 p -53.21 121.24 7.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -172.34 -119.84 0.54 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -133.59 100.42 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -84.51 105.83 15.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.14 120.06 41.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -97.91 107.52 20.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -99.43 136.81 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.76 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -112.85 -76.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.612 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 3.4 t0 -113.06 -71.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.05 -16.6 6.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -106.48 169.75 8.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.9 p -144.97 149.35 35.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.82 134.54 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.9 t -90.31 126.52 35.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -134.69 99.9 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.7 m -81.64 120.97 25.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.14 93.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 m -92.68 118.05 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.554 HG12 HD23 ' A' ' 77' ' ' LEU . 59.7 t -102.41 143.99 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.9 p -136.69 174.82 10.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -75.39 135.35 72.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.629 0.728 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 164.66 33.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 178.93 4.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.3 t -135.25 106.79 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -126.09 -175.89 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 21.0 mt -53.7 130.77 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.476 HG22 ' H ' ' A' ' 108' ' ' SER . 92.7 mt -121.42 142.03 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -95.95 39.25 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.476 ' H ' HG22 ' A' ' 106' ' ' ILE . 1.9 t -167.75 147.29 4.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -136.58 81.22 0.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 113.1 3.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -69.24 149.42 48.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.794 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.1 p -80.92 147.55 30.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -129.94 106.7 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -66.05 125.66 26.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.5 -79.74 0.58 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -121.53 105.35 10.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m -158.05 123.98 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.07 98.5 0.94 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.5 p -89.82 41.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.735 0.303 . . . . 0.0 111.096 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.94 7.59 5.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.67 150.47 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.0 m -91.98 -61.89 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.3 m -110.67 112.1 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.778 ' HB3' HD13 ' A' ' 87' ' ' ILE . 73.0 m95 -62.92 -56.2 19.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.411 HG21 ' HB2' ' A' ' 92' ' ' ALA . 19.4 mt -64.86 92.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.529 HG12 ' C ' ' A' ' 36' ' ' GLU . 8.7 p -70.84 -28.95 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.581 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -165.31 145.73 5.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 0.0 110.912 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.701 ' HG3' HG21 ' A' ' 21' ' ' VAL . 53.2 Cg_endo -69.81 164.33 79.65 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.317 -0.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -106.79 65.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.31 -152.63 24.74 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -83.72 146.86 27.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.701 HG21 ' HG3' ' A' ' 17' ' ' PRO . 97.5 t -134.9 124.11 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -100.89 137.62 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.9 t -144.04 127.89 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.91 129.6 53.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -131.69 176.62 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.436 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.5 t -132.65 156.13 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -44.4 117.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt 66.65 36.49 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.444 ' H ' HG22 ' A' ' 75' ' ' VAL . 17.8 tp10 -95.49 158.65 15.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -100.44 99.06 9.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.474 HG11 ' HB2' ' A' ' 25' ' ' ALA . 22.5 m -99.36 159.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.745 HG22 HG22 ' A' ' 71' ' ' VAL . 99.2 t -140.48 108.38 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.408 HD22 HD23 ' A' ' 70' ' ' LEU . 5.4 mp -88.25 140.84 29.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.1 m -114.19 123.47 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.46 ' C ' HG23 ' A' ' 67' ' ' VAL . 2.6 t -142.74 112.07 6.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.529 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.7 tt0 -96.12 158.8 15.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 36' ' ' GLU . 58.1 mt -130.2 154.02 47.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -70.27 -18.15 63.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -133.51 145.42 56.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.646 0.736 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.707 ' HA ' HG22 ' A' ' 66' ' ' THR . 54.4 Cg_endo -69.7 -51.32 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.382 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.479 ' CD1' ' HG2' ' A' ' 40' ' ' PRO . 2.0 p-90 -81.96 40.81 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.81 115.24 28.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -80.91 132.34 35.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.593 HG12 ' HB ' ' A' ' 87' ' ' ILE . 14.1 m -126.77 171.98 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -152.69 128.72 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' O ' HG22 ' A' ' 53' ' ' VAL . 65.4 m95 -88.98 137.85 31.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.3 p -130.43 127.51 39.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -101.79 103.9 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 63.02 36.2 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.46 -33.01 6.15 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -77.03 148.75 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -89.31 110.42 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 46' ' ' TRP . 28.3 m -55.08 141.06 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.53 137.04 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -42.3 149.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.44 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -171.15 166.35 4.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.88 -179.781 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 53.4 Cg_endo -69.79 5.01 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.31 -10.91 7.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.752 HD21 HD21 ' A' ' 61' ' ' LEU . 7.0 tt -135.04 101.55 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.9 mt -94.67 127.25 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.752 HD21 HD21 ' A' ' 59' ' ' LEU . 79.8 mt -98.51 112.54 24.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -96.57 161.87 13.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -150.0 113.28 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.678 ' HB3' HG13 ' A' ' 67' ' ' VAL . 1.8 tp10 -92.22 -179.98 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -40.74 -68.25 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.707 HG22 ' HA ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -125.39 6.51 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.678 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -127.08 123.46 62.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.1 mmt-85 -86.82 147.69 25.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.428 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 24.4 mtm180 -135.48 145.74 47.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.608 HD13 HD23 ' A' ' 61' ' ' LEU . 5.7 tp -120.67 98.1 5.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.745 HG22 HG22 ' A' ' 32' ' ' VAL . 70.9 t -95.56 137.4 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.426 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -122.5 106.39 35.21 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.0 Cg_endo -69.76 -10.01 27.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.89 105.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.444 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.7 m -103.18 171.93 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -139.13 150.16 45.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.584 HD23 HG12 ' A' ' 98' ' ' VAL . 52.0 mt -50.63 -37.55 41.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -67.36 -36.32 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -56.98 -35.94 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.459 ' HB3' HG23 ' A' ' 98' ' ' VAL . 70.3 p -52.96 120.84 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.7 -123.58 0.7 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -127.82 101.36 6.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -84.35 102.87 13.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -102.58 115.58 30.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.509 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 43.4 t -97.2 107.62 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.9 139.7 35.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.778 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -113.74 -57.07 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.483 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 3.6 t0 -134.98 -72.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -118.97 -25.62 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -100.18 169.2 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.9 p -145.31 147.0 31.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.411 ' HB2' HG21 ' A' ' 14' ' ' ILE . . . -103.68 125.39 50.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.083 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.8 t -85.88 130.03 34.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -134.86 101.37 4.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.8 m -79.96 119.97 23.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.1 t -124.39 92.72 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.4 m -89.32 121.8 31.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.584 HG12 HD23 ' A' ' 77' ' ' LEU . 44.4 t -105.88 148.34 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.5 p -139.96 -177.71 5.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -84.49 133.87 43.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.35 24.73 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.62 23.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.6 t -94.66 126.52 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -130.77 -58.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.2 mt -137.41 120.52 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.06 122.49 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -146.7 171.34 15.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 t -91.41 143.2 26.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -141.35 -75.17 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.6 9.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.8 m -82.21 162.96 22.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 79.1 p -84.32 -22.26 30.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -51.56 106.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.393 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -159.32 157.82 31.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.16 152.61 20.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -165.83 156.79 13.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -142.51 131.21 22.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.8 123.17 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.4 p -122.85 91.13 3.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.79 0.328 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.53 87.43 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.526 HG11 ' NE1' ' A' ' 13' ' ' TRP . 15.0 p -153.41 159.5 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.508 ' N ' HG22 ' A' ' 10' ' ' VAL . 48.5 t -74.56 148.69 40.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 11' ' ' SER . 67.3 m -34.97 110.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.814 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.8 ' HB3' HD13 ' A' ' 87' ' ' ILE . 61.8 m95 -59.94 -54.57 44.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.9 mt -69.05 101.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.467 HG12 ' C ' ' A' ' 36' ' ' GLU . 12.2 p -77.16 -27.12 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -164.38 146.67 7.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.709 0.766 . . . . 0.0 110.894 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.1 Cg_endo -69.72 168.44 67.3 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.351 -0.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -102.67 63.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.13 -153.36 24.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -86.81 147.2 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.498 HG21 ' HG3' ' A' ' 17' ' ' PRO . 91.3 t -133.44 126.59 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -98.42 133.59 42.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -136.07 137.95 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.97 131.8 56.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.17 171.77 13.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.1 t -125.75 160.4 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -48.69 118.63 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 mt 68.78 34.4 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 10.9 tp10 -98.59 159.66 14.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.96 122.45 45.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.5 m -118.48 165.08 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.667 HG22 HG22 ' A' ' 71' ' ' VAL . 84.7 t -144.24 106.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.508 HD22 HD23 ' A' ' 70' ' ' LEU . 5.0 mp -83.71 139.85 32.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.479 HG22 ' CE1' ' A' ' 16' ' ' TYR . 23.1 m -112.04 117.67 33.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.463 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.9 t -142.65 105.67 4.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.4 tt0 -95.89 161.75 13.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.912 HD11 ' CG1' ' A' ' 44' ' ' VAL . 33.7 mt -132.03 155.76 47.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.6 p -81.59 9.24 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.533 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 9.1 mmp_? -145.07 136.22 12.49 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.874 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.82 -50.17 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.425 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 2.5 p-90 -82.31 19.07 1.27 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -84.38 119.57 25.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -90.25 145.5 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.912 ' CG1' HD11 ' A' ' 37' ' ' LEU . 11.2 m -126.02 166.69 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -149.44 126.03 10.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.496 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 53.5 m95 -90.94 133.22 35.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.5 p -120.32 132.84 55.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -112.69 102.06 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 72.28 40.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.99 -32.06 5.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -84.99 161.24 19.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.06 136.25 33.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 46' ' ' TRP . 10.4 m -66.2 142.04 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.97 129.1 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -46.0 146.44 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -168.57 167.67 6.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.691 0.758 . . . . 0.0 110.838 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.6 Cg_endo -69.71 1.49 4.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.03 -12.27 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.807 HD21 HD21 ' A' ' 61' ' ' LEU . 8.0 tt -134.4 102.98 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.426 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 65.8 mt -96.5 125.89 41.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.807 HD21 HD21 ' A' ' 59' ' ' LEU . 81.9 mt -98.07 109.71 22.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' ARG . 58.4 mm-40 -92.98 146.81 23.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.493 ' HG2' ' CZ ' ' A' ' 68' ' ' ARG . 20.6 mttt -135.82 112.68 10.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.687 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.1 tt0 -87.09 -175.02 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.874 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.1 p -120.24 3.04 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.687 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -126.91 143.73 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 5.2 mmm180 -105.19 156.07 18.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 62' ' ' GLN . 34.3 mtm180 -149.1 142.88 25.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.785 HD13 HD23 ' A' ' 61' ' ' LEU . 6.8 tp -117.77 110.56 17.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.667 HG22 HG22 ' A' ' 32' ' ' VAL . 88.9 t -106.3 136.83 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.415 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.3 mp -118.44 102.19 50.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.426 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 53.4 Cg_endo -69.78 -9.42 26.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.34 105.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 29' ' ' GLU . 1.3 m -104.83 168.75 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -144.9 144.89 31.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.579 HD23 HG12 ' A' ' 98' ' ' VAL . 53.7 mt -44.01 -29.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.75 -38.7 73.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.81 -36.02 66.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.8 p -45.42 116.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -168.84 -139.14 2.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -119.89 102.02 8.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.895 0.379 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -85.27 109.53 18.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -110.17 113.94 27.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 6.2 t -88.04 107.4 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -101.91 134.16 45.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.8 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.64 -61.09 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.151 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.438 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 1.7 t70 -133.93 -71.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -119.29 -20.85 7.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -103.47 168.96 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.3 p -145.93 147.53 31.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.66 131.73 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 t -85.86 124.42 32.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -132.77 99.97 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.1 m -83.17 126.82 33.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.3 t -134.11 107.51 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.7 m -104.59 118.5 36.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.579 HG12 HD23 ' A' ' 77' ' ' LEU . 97.1 t -100.94 146.35 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.4 p -143.68 172.96 12.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.18 137.02 68.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.694 0.759 . . . . 0.0 110.815 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.91 36.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 171.99 13.4 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.358 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.459 HG11 HG13 ' A' ' 106' ' ' ILE . 78.2 t -123.45 123.59 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.4 mtm105 -95.54 -45.87 6.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.6 mm -124.01 125.5 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.459 HG13 HG11 ' A' ' 103' ' ' VAL . 5.4 mp -103.85 119.48 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -102.11 -53.51 2.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.6 p -95.3 -57.69 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.3 -153.5 21.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.61 65.19 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 m -45.15 135.05 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.1 t 46.63 42.72 11.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -161.53 156.67 23.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -47.38 164.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.92 61.0 4.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t -75.14 -46.71 32.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.916 0.389 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' GLY . 43.6 t -133.27 125.24 28.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.63 131.8 0.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.2 m -90.0 100.54 13.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.157 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 t70 56.08 42.46 28.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 10' ' ' VAL . 7.6 p -114.03 131.05 67.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' SER . 8.2 t -74.6 165.45 25.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 11' ' ' SER . 37.5 m -34.56 105.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.836 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.444 ' HB3' HG21 ' A' ' 87' ' ' ILE . 55.2 m95 -36.91 -51.86 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.8 mt -73.03 97.96 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 36' ' ' GLU . 14.1 p -74.15 -27.6 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -166.07 145.73 5.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.666 0.746 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.7 166.06 74.87 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.353 -0.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -104.89 65.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.01 -148.5 20.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -93.54 145.73 24.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.09 145.42 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -113.78 138.77 49.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 t -143.99 143.49 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.24 138.03 51.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.62 169.02 18.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.435 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.6 t -132.99 160.49 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -45.86 112.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt 67.41 43.54 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 11.6 tp10 -98.9 161.93 13.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -106.25 100.69 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.527 ' CG2' HD13 ' A' ' 72' ' ' LEU . 21.9 m -98.19 159.08 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.606 HG22 HG22 ' A' ' 71' ' ' VAL . 89.3 t -141.21 105.35 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.559 HD22 HD23 ' A' ' 70' ' ' LEU . 4.9 mp -84.73 139.3 32.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.9 m -110.34 118.83 37.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.96 105.76 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' O ' HG12 ' A' ' 15' ' ' VAL . 8.4 tt0 -95.88 158.07 15.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.41 HD11 HG13 ' A' ' 44' ' ' VAL . 50.3 mt -127.87 158.85 36.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 t -83.06 6.45 18.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.571 ' HD3' ' CZ2' ' A' ' 41' ' ' TRP . 1.5 mmp_? -149.17 141.61 15.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.571 0.7 . . . . 0.0 110.875 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.645 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.4 Cg_endo -69.79 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.571 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 2.4 p-90 -82.71 33.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -95.61 110.06 22.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.19 140.31 31.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.799 HG12 ' HB ' ' A' ' 87' ' ' ILE . 28.3 m -127.56 167.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -142.88 122.38 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 61.0 m95 -86.63 134.67 33.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.3 p -127.42 127.83 44.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -99.84 93.95 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t0 72.57 36.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.48 -31.78 7.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -80.05 142.64 34.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -81.79 116.32 21.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 m -59.6 133.94 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -110.88 132.16 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -42.88 148.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.93 167.77 3.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.78 2.99 3.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.95 -14.01 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 59' ' ' LEU . 7.4 tt -134.64 100.48 4.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 57.8 mt -93.31 127.43 38.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.672 HD23 HD13 ' A' ' 70' ' ' LEU . 87.7 mt -97.12 112.05 24.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' ARG . 50.0 mm-40 -95.63 145.47 25.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HG3' ' NH1' ' A' ' 68' ' ' ARG . 7.9 mptt -136.57 125.55 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.585 ' HB3' HG13 ' A' ' 67' ' ' VAL . 3.0 tp10 -100.49 -176.76 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.39 -63.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.645 HG22 ' HA ' ' A' ' 40' ' ' PRO . 3.0 p -124.76 -2.08 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.585 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -120.53 137.78 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' NH1' ' HG3' ' A' ' 63' ' ' LYS . 4.4 mmm180 -99.86 156.09 17.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' GLN . 20.5 mtm180 -147.51 143.87 28.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.672 HD13 HD23 ' A' ' 61' ' ' LEU . 7.8 tp -116.43 111.84 20.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.606 HG22 HG22 ' A' ' 32' ' ' VAL . 86.0 t -108.24 134.23 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.527 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.0 mp -118.07 103.79 49.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.416 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.78 -12.67 33.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.45 105.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.89 170.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -136.93 149.83 47.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.8 mt -52.17 -37.94 56.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.67 -37.1 85.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.03 -34.35 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.8 p -42.28 120.32 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.56 -136.1 2.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -124.73 127.01 46.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -103.21 105.7 16.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.69 111.12 23.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.527 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 42.3 t -94.24 106.83 18.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -104.22 136.55 43.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.799 ' HB ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -106.14 -55.02 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -135.02 -72.55 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -119.6 -17.82 8.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -106.47 167.72 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.5 p -146.76 148.6 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.27 133.27 48.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.5 t -87.58 126.97 35.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -134.16 99.98 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.7 m -81.22 123.21 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.4 t -130.56 105.16 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 88.3 m -102.83 119.88 39.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 99' ' ' THR . 53.2 t -95.51 152.67 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.401 ' N ' HG12 ' A' ' 98' ' ' VAL . 22.2 p -147.53 174.02 12.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -81.27 134.39 52.06 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.662 0.744 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 165.45 30.92 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 165.6 30.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.0 t -105.3 115.75 47.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -130.19 -44.45 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.3 tt -86.68 135.44 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.79 87.11 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -101.88 172.67 6.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.6 m -81.65 -61.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 160.53 81.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.3 57.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 m -102.94 133.89 47.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m -74.42 162.99 28.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -52.33 135.52 32.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.358 . . . . 0.0 110.834 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -107.12 109.15 20.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.13 -67.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.5 p -79.84 170.59 16.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 m -114.22 -60.84 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.26 174.19 31.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.3 p -101.27 96.85 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 111.188 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -71.83 107.1 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.8 p -153.39 149.16 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -55.69 -61.05 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.9 p -165.24 114.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.521 ' HB3' HD13 ' A' ' 87' ' ' ILE . 43.0 m95 -50.01 -53.42 26.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mt -77.37 93.59 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.511 HG12 ' C ' ' A' ' 36' ' ' GLU . 9.5 p -71.58 -19.73 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -173.23 145.37 1.23 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.691 0.758 . . . . 0.0 110.888 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.7 Cg_endo -69.76 169.6 62.57 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.305 -0.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.2 p -105.97 64.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.54 -140.19 9.39 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -100.88 143.48 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -133.75 127.58 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -97.68 139.77 33.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.4 t -141.07 137.47 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.54 140.15 45.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.722 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -134.99 174.44 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.465 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.6 t -135.93 160.8 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -45.33 110.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 mt 68.38 44.38 1.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' CB ' ' H ' ' A' ' 26' ' ' VAL . 4.3 tp10 -97.35 158.08 15.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 1.2 tmt_? -104.39 94.58 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -91.98 161.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 71' ' ' VAL . 91.1 t -141.78 105.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.555 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.0 mp -80.37 138.71 36.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -112.98 113.07 24.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 t -138.52 105.76 5.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.511 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.5 tt0 -95.84 156.55 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.592 HD11 ' CG1' ' A' ' 44' ' ' VAL . 30.4 mt -127.84 164.14 22.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.3 p -88.28 10.58 19.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.594 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.4 mmt180 -150.81 138.68 12.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.536 ' CA ' HG22 ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.69 -50.02 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.752 2.301 . . . . 0.0 112.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.594 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.6 p-90 -83.18 29.44 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -90.24 109.76 20.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.052 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -82.54 133.61 35.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.592 ' CG1' HD11 ' A' ' 37' ' ' LEU . 17.3 m -122.18 169.09 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -146.22 126.31 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 61.2 m95 -90.49 135.29 33.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.7 p -122.01 127.35 50.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 53' ' ' VAL . 8.3 tmtt? -108.38 100.81 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.0 t70 71.27 35.8 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.83 -30.79 7.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -84.15 155.54 22.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -91.79 111.19 22.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 46' ' ' TRP . 17.9 m -51.25 137.99 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 p -113.43 134.81 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -44.09 147.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.454 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.48 167.99 4.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.71 0.767 . . . . 0.0 110.835 -179.752 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.5 Cg_endo -69.8 1.42 4.48 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.262 . . . . 0.0 112.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.68 -12.7 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.749 HD21 HD21 ' A' ' 61' ' ' LEU . 8.3 tt -135.02 103.66 5.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.0 mt -95.47 129.46 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.755 HD23 HD13 ' A' ' 70' ' ' LEU . 85.2 mt -102.38 108.03 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -92.12 146.78 23.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' HG2' ' CZ ' ' A' ' 68' ' ' ARG . 27.7 mtmt -138.8 113.24 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.618 ' CB ' HG13 ' A' ' 67' ' ' VAL . 3.5 tp10 -87.52 -174.59 4.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -60.01 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.536 HG22 ' CA ' ' A' ' 40' ' ' PRO . 21.6 p -126.4 -1.26 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.618 HG13 ' CB ' ' A' ' 64' ' ' GLU . 1.5 p -121.96 139.24 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 4.7 mmm180 -105.69 156.22 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -149.83 141.0 23.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.755 HD13 HD23 ' A' ' 61' ' ' LEU . 8.0 tp -112.03 103.8 12.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 32' ' ' VAL . 79.1 t -99.38 136.66 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD11 ' HG ' ' A' ' 70' ' ' LEU . 6.8 mp -122.41 105.31 36.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.9 Cg_endo -69.71 -12.9 33.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.369 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.78 108.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -106.68 175.0 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -142.72 145.66 33.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.519 HD23 HG12 ' A' ' 98' ' ' VAL . 65.2 mt -47.42 -40.06 17.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -62.35 -39.53 93.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -55.98 -32.04 63.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.402 ' CB ' ' H ' ' A' ' 98' ' ' VAL . 54.0 p -47.86 121.68 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -179.05 -127.13 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -125.88 139.01 53.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -119.54 105.14 10.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.57 112.12 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.573 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 51.8 t -94.03 107.05 19.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -101.39 137.08 40.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.56 ' HB ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -109.12 -57.16 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -135.04 -72.95 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -120.25 -11.7 9.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -113.7 166.49 11.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.4 p -143.99 148.58 35.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.61 134.56 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 t -87.41 124.95 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -134.19 99.92 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.4 m -81.58 126.02 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.0 t -130.27 106.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 92.5 m -109.67 118.37 36.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.722 HG22 ' HB3' ' A' ' 25' ' ' ALA . 67.2 t -97.81 146.61 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.2 p -138.59 176.56 8.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -78.87 135.54 59.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 168.19 22.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.4 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 175.56 7.88 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.5 t -139.46 143.75 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.429 ' HB3' HD12 ' A' ' 105' ' ' ILE . 62.9 ttt180 -117.88 -47.0 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.429 HD12 ' HB3' ' A' ' 104' ' ' ARG . 5.3 mp -93.57 118.52 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.6 mt -109.79 121.22 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -101.51 161.39 13.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.0 t -107.21 120.93 43.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 170.09 137.86 2.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 99.48 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.664 2.243 . . . . 0.0 112.313 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.9 p -101.95 114.6 28.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.4 m -50.86 122.75 7.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.541 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -149.87 163.11 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -150.15 173.9 13.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.52 121.02 5.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -152.04 120.3 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 0.0 110.813 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 m -73.42 149.6 42.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.69 -143.5 14.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.6 p 37.2 41.18 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 111.13 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -53.26 100.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.1 m -76.28 131.8 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.5 m -70.72 -49.75 43.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 13' ' ' TRP . 27.7 m -150.25 114.04 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.558 ' CE3' HD11 ' A' ' 87' ' ' ILE . 47.3 m95 -35.47 -56.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.464 ' CD1' ' C ' ' A' ' 91' ' ' SER . 26.4 mt -74.4 95.57 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.427 HG12 ' C ' ' A' ' 36' ' ' GLU . 14.9 p -72.63 -32.33 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.583 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -158.7 146.03 13.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.684 0.754 . . . . 0.0 110.892 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.0 Cg_endo -69.78 170.48 58.34 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.325 -0.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -103.51 63.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.09 -140.07 9.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -99.12 145.38 27.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.0 t -134.22 122.09 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -94.18 132.95 38.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.6 t -135.4 127.7 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.7 135.6 44.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.624 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -134.61 173.55 11.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.8 t -129.08 155.92 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -44.89 117.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.6 mt 66.97 35.99 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.508 ' H ' HG22 ' A' ' 75' ' ' VAL . 18.9 tp10 -95.52 158.97 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.45 102.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.624 HG11 ' HB2' ' A' ' 25' ' ' ALA . 33.4 m -104.34 163.11 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.932 HG22 HG22 ' A' ' 71' ' ' VAL . 83.6 t -141.72 110.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.646 HD22 HD23 ' A' ' 70' ' ' LEU . 5.5 mp -86.34 141.35 29.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.6 m -112.82 118.13 34.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.6 t -139.67 106.99 5.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.439 ' O ' HD23 ' A' ' 37' ' ' LEU . 9.1 tt0 -95.97 162.01 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.914 HD11 ' CG1' ' A' ' 44' ' ' VAL . 58.7 mt -133.84 155.4 49.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.6 p -80.64 4.13 19.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.593 ' HD3' ' CZ2' ' A' ' 41' ' ' TRP . 1.8 mmp_? -143.64 137.29 14.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.6 0.714 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.917 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.73 -48.86 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.593 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 3.3 p-90 -83.9 27.05 0.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.53 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -90.85 110.01 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -80.86 136.13 36.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.914 ' CG1' HD11 ' A' ' 37' ' ' LEU . 5.0 m -120.63 166.65 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.3 ttm-85 -147.87 126.94 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 46.3 m95 -90.44 138.71 31.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.424 HG22 ' HA ' ' A' ' 52' ' ' GLU . 52.5 p -133.15 132.99 42.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' GLU . 13.2 tttt -102.88 105.56 15.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.22 46.48 10.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.66 -33.07 4.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 48' ' ' LYS . 17.6 mt-10 -78.05 153.02 32.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HA ' HG22 ' A' ' 47' ' ' THR . 13.4 tt0 -93.7 116.24 28.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 46' ' ' TRP . 17.2 m -59.79 138.14 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -113.75 139.79 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -49.0 148.0 2.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.447 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.31 167.66 3.83 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.655 0.741 . . . . 0.0 110.85 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.77 3.51 2.74 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.03 -5.95 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 61' ' ' LEU . 8.4 tt -141.94 105.14 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.6 mt -99.03 127.24 44.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 59' ' ' LEU . 80.6 mt -96.55 110.92 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' ARG . 59.8 mm-40 -92.82 147.55 22.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -143.13 116.96 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -93.61 -174.59 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.8 -64.71 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.917 HG22 ' HA ' ' A' ' 40' ' ' PRO . 2.3 p -123.21 -7.67 8.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -114.82 132.18 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.3 mmt-85 -99.58 154.54 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.475 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 34.4 mtm180 -144.19 151.49 39.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.646 HD23 HD22 ' A' ' 33' ' ' LEU . 6.0 tp -121.02 103.39 9.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.932 HG22 HG22 ' A' ' 32' ' ' VAL . 78.6 t -101.13 137.14 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.1 mp -120.46 108.94 37.07 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -11.97 31.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.67 107.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.508 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.6 m -103.74 169.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 79' ' ' ASP . 21.1 mm-40 -141.05 147.07 38.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.7 mt -44.6 -33.78 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -67.58 -36.82 81.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 76' ' ' GLN . 5.1 m-20 -55.55 -30.44 60.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.6 p -55.21 121.07 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.56 -123.17 0.78 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -131.88 116.11 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -101.51 108.42 19.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -106.31 120.38 41.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.9 t -100.21 107.17 18.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.72 140.1 34.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.558 HD11 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -111.97 -58.31 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -135.02 -73.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.39 -11.94 9.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 13' ' ' TRP . 2.9 pt-20 -115.76 168.21 10.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.464 ' C ' ' CD1' ' A' ' 14' ' ' ILE . 60.0 p -144.5 151.79 39.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.3 137.15 41.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.06 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.2 t -89.69 122.95 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -133.4 99.86 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.2 m -82.33 125.42 30.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.7 t -125.67 97.57 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.9 m -97.34 114.52 26.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.462 HG22 ' HB3' ' A' ' 25' ' ' ALA . 40.9 t -100.52 147.19 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 p -140.16 177.7 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.11 136.92 53.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.3 50.2 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -178.73 2.5 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.6 p -66.17 138.37 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -128.32 144.99 51.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 105' ' ' ILE . 3.1 tt -63.19 85.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.2 mm -72.34 122.09 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -117.79 135.08 54.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.9 t -53.24 116.81 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.59 -144.71 3.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.443 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 164.36 34.81 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.646 2.231 . . . . 0.0 112.383 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t 51.27 41.47 27.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.8 p -82.53 132.68 35.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -89.14 88.54 7.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -89.56 100.78 13.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.7 -122.93 0.77 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.447 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -147.25 175.8 10.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.816 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -113.75 -62.48 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.76 77.96 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.554 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.3 p -124.32 146.73 48.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.145 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -111.23 41.45 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.508 HG11 ' HB2' ' A' ' 38' ' ' CYS . 3.8 m -78.34 -33.63 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 t 38.89 30.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' VAL . 1.1 t -174.07 122.94 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.589 ' HB3' HD13 ' A' ' 87' ' ' ILE . 59.9 m95 -58.42 -49.0 78.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.0 mt -73.86 89.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.686 HG12 ' C ' ' A' ' 36' ' ' GLU . 5.5 p -68.68 -22.32 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.614 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -172.5 146.23 1.55 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.679 0.752 . . . . 0.0 110.975 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.752 ' HG3' HG21 ' A' ' 21' ' ' VAL . 53.7 Cg_endo -69.76 169.19 64.52 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.331 -0.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 m -104.44 64.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.64 -139.14 8.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -98.66 146.88 25.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.837 0.351 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.752 HG21 ' HG3' ' A' ' 17' ' ' PRO . 96.8 t -134.3 113.1 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.0 132.16 38.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.57 138.0 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.37 117.73 31.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -118.39 176.44 5.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 t -130.05 158.89 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -48.48 116.26 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt 69.41 37.1 2.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' H ' HG22 ' A' ' 75' ' ' VAL . 18.1 tp10 -98.8 157.24 16.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.458 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 1.9 tmt_? -101.31 108.83 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.488 HG11 ' HB2' ' A' ' 25' ' ' ALA . 17.7 m -110.14 159.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.829 HG22 HG22 ' A' ' 71' ' ' VAL . 95.1 t -140.05 105.54 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.625 HD22 HD23 ' A' ' 70' ' ' LEU . 4.5 mp -79.64 140.93 36.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 m -113.9 115.22 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.421 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.7 t -138.4 106.02 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.686 ' C ' HG12 ' A' ' 15' ' ' VAL . 10.7 tt0 -95.7 152.04 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.576 HD21 HG11 ' A' ' 44' ' ' VAL . 44.2 mt -119.99 171.38 8.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.508 ' HB2' HG11 ' A' ' 10' ' ' VAL . 27.2 p -94.81 14.25 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 1.016 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 27.8 mmm180 -151.37 147.99 21.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.787 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.7 Cg_endo -69.78 -51.72 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 -87.42 17.47 4.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 1.016 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -72.11 109.7 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -85.21 153.97 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.576 HG11 HD21 ' A' ' 37' ' ' LEU . 23.6 m -139.36 170.29 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -144.04 125.79 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.466 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 48.4 m95 -92.62 134.4 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.6 p -127.77 139.96 52.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -110.17 94.29 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 t70 74.23 28.31 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.84 -33.1 6.75 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -78.9 151.67 31.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -91.66 120.63 32.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -63.35 141.88 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' GLU . 13.3 p -117.42 128.83 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.7 mt-10 -37.84 146.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.464 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.15 168.42 4.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.881 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.74 3.44 2.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.4 -3.13 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 59' ' ' LEU . 6.8 tt -145.13 105.12 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 70' ' ' LEU . 78.0 mt -98.06 133.3 42.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.599 HD23 HD13 ' A' ' 70' ' ' LEU . 64.7 mt -104.25 111.04 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -95.91 146.32 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -138.46 112.04 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.709 ' HB3' HG13 ' A' ' 67' ' ' VAL . 3.6 tt0 -86.64 -174.74 5.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -70.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.787 HG22 ' HA ' ' A' ' 40' ' ' PRO . 2.4 p -114.26 1.78 14.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.709 HG13 ' HB3' ' A' ' 64' ' ' GLU . 1.8 p -127.31 146.37 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.4 mmt-85 -111.62 155.8 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -147.24 150.27 34.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.625 HD23 HD22 ' A' ' 33' ' ' LEU . 5.4 tp -122.64 105.38 10.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.829 HG22 HG22 ' A' ' 32' ' ' VAL . 75.5 t -98.85 141.45 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.433 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.2 mp -124.24 106.47 30.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.587 0.708 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.78 -13.63 34.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.36 107.56 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.46 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.4 m -105.02 163.0 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -136.0 146.29 47.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.725 HD23 HG12 ' A' ' 98' ' ' VAL . 40.9 mt -43.91 -37.77 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -62.26 -38.95 91.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.14 -29.94 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.4 p -54.44 114.75 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.96 -124.63 0.73 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -133.62 104.03 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -85.75 109.89 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.91 113.93 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.466 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 36.2 t -92.92 107.15 19.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -102.97 135.2 45.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.589 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -105.28 -77.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.577 ' H ' HG23 ' A' ' 87' ' ' ILE . 1.5 t70 -116.37 -68.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -126.21 -0.16 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -118.0 169.06 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.6 p -147.36 145.11 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -106.32 135.55 47.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 t -88.64 124.49 34.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -134.81 99.75 4.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.5 m -84.99 125.62 32.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.1 t -128.73 92.4 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.6 m -88.18 126.91 35.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.725 HG12 HD23 ' A' ' 77' ' ' LEU . 75.9 t -108.67 136.0 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 p -127.6 171.45 11.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -74.42 130.04 82.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.672 0.749 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 168.78 20.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.743 2.295 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 168.71 20.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.372 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 p -81.18 132.55 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -125.48 146.93 49.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.449 ' O ' ' CG2' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -39.57 127.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.5 mt -92.33 89.19 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -65.35 -63.03 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.9 m -87.75 159.02 18.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -67.06 -179.94 12.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 158.68 56.18 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.74 2.294 . . . . 0.0 112.364 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.5 m -129.92 176.63 7.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.3 m -41.15 152.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.3 p -135.43 149.45 49.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -92.14 144.87 24.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.71 139.23 7.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -84.04 145.34 28.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.814 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -65.48 165.4 12.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.65 132.33 51.81 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 p -119.1 93.61 4.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.128 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -100.5 101.21 12.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 p -151.97 145.64 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.2 p -74.78 -46.23 38.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.5 m -162.11 119.31 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.696 ' HB3' HD13 ' A' ' 87' ' ' ILE . 31.7 m95 -66.67 -54.81 19.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.7 mt -68.5 91.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.522 HG12 ' C ' ' A' ' 36' ' ' GLU . 7.1 p -72.06 -18.24 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.563 ' HA ' ' C ' ' A' ' 17' ' ' PRO . 1.1 t80 -173.85 144.46 1.04 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.667 0.746 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.74 166.2 74.61 Favored 'Cis proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.357 -0.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -100.61 63.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.39 -156.86 26.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -84.49 143.85 29.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.8 t -131.74 136.52 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -106.6 136.08 47.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.7 t -138.22 130.26 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.5 143.25 32.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -142.89 176.6 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.475 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.6 t -134.61 158.12 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -43.88 116.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 mt 64.17 38.94 7.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.475 ' CB ' ' H ' ' A' ' 26' ' ' VAL . 11.1 tp10 -93.51 162.23 14.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -105.23 95.79 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.483 HG11 ' HB2' ' A' ' 25' ' ' ALA . 17.2 m -96.23 157.77 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 71' ' ' VAL . 97.6 t -140.09 110.58 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.654 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.3 mp -86.88 149.38 24.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.0 m -124.8 122.63 37.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.6 t -142.75 109.9 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.522 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.5 tt0 -96.02 154.4 17.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD13 ' HB3' ' A' ' 42' ' ' ALA . 22.3 mt -124.34 154.48 40.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.3 p -70.65 -12.69 61.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -138.16 145.13 46.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.561 0.696 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.862 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.73 -45.97 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 -82.3 34.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HB3' HD13 ' A' ' 37' ' ' LEU . . . -98.26 111.27 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -81.68 141.48 33.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.04 173.85 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -155.03 127.07 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.654 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 66.1 m95 -89.71 137.47 32.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.8 p -131.09 132.55 44.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' GLU . 13.4 tttt -104.34 105.46 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.6 t70 63.7 44.03 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.13 -31.25 5.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 48' ' ' LYS . 13.8 mt-10 -80.56 156.43 26.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -95.5 123.02 38.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 46' ' ' TRP . 19.7 m -62.88 143.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 54' ' ' VAL . 13.8 p -118.91 125.78 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.9 mt-10 -35.69 143.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.457 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -166.73 168.1 7.38 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.647 0.737 . . . . 0.0 110.88 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.457 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.3 Cg_endo -69.81 2.65 3.37 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.236 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.51 -6.33 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 61' ' ' LEU . 8.0 tt -140.85 104.98 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.9 mt -98.82 126.53 44.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 59' ' ' LEU . 67.9 mt -97.07 114.41 26.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -98.79 160.87 13.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -150.34 111.91 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.695 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.3 tp10 -91.8 176.7 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' GLU . 7.8 m-20 -34.84 -73.03 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.862 HG22 ' HA ' ' A' ' 40' ' ' PRO . 0.8 OUTLIER -121.67 7.01 9.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.695 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -127.41 126.07 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 80.5 mmt-85 -92.81 150.17 20.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -139.82 148.37 42.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.529 HD13 HD23 ' A' ' 61' ' ' LEU . 4.1 tp -118.99 101.91 8.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 32' ' ' VAL . 77.9 t -95.98 137.35 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.434 ' HB2' HG22 ' A' ' 31' ' ' VAL . 7.2 mp -121.95 105.77 37.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.595 0.712 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.75 -12.54 33.12 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.33 105.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.19 171.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 79' ' ' ASP . 29.0 mm-40 -139.63 144.5 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.456 HD23 HG12 ' A' ' 98' ' ' VAL . 90.6 mt -43.87 -31.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -33.38 59.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' GLN . 10.2 t0 -57.45 -26.96 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.625 ' HB3' HG23 ' A' ' 98' ' ' VAL . 54.2 p -65.61 120.97 13.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.31 -120.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -131.77 101.3 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -87.45 109.7 19.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -107.44 117.47 34.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.515 ' SG ' ' CE2' ' A' ' 46' ' ' TRP . 5.1 t -98.01 106.82 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -94.73 152.31 18.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.748 HG23 ' H ' ' A' ' 88' ' ' ASP . 1.6 tt -126.39 -63.34 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.748 ' H ' HG23 ' A' ' 87' ' ' ILE . 6.6 t0 -134.19 -72.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -16.31 8.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -108.83 167.68 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.0 p -141.46 146.23 36.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.77 127.04 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -86.77 126.69 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -134.53 99.87 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.3 m -80.3 128.76 33.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.65 101.5 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 96.5 m -97.93 124.32 42.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.625 HG23 ' HB3' ' A' ' 80' ' ' SER . 26.9 t -110.68 135.89 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.5 p -129.59 174.15 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -78.07 136.18 61.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 166.01 29.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -179.1 2.65 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.743 2.295 . . . . 0.0 112.306 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.63 133.72 31.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.155 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 105' ' ' ILE . 20.5 mmm-85 -147.39 169.87 18.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 104' ' ' ARG . 4.0 pt -36.11 134.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.6 mt -105.65 95.7 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -62.34 158.35 17.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -114.1 133.46 55.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.817 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.62 97.57 0.15 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 123.89 10.53 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.721 2.28 . . . . 0.0 112.298 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.0 t -164.4 144.22 7.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.2 t -149.74 131.74 15.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -68.39 165.3 19.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.83 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -98.6 -45.32 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.89 144.23 5.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -131.59 100.73 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.913 0.387 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -98.42 133.24 43.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.67 43.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.467 HG21 ' HH2' ' A' ' 41' ' ' TRP . 40.4 p -141.07 133.74 28.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.111 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.81 86.6 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.77 134.96 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -95.22 -58.42 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.8 p -125.28 95.87 4.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.476 ' HB3' HG21 ' A' ' 87' ' ' ILE . 56.5 m95 -43.29 -58.34 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.6 mt -67.52 94.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.91 -26.33 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -165.12 145.79 6.04 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.669 0.747 . . . . 0.0 110.95 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.6 Cg_endo -69.76 169.57 62.7 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 -0.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 t -106.53 64.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.56 -145.31 14.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -96.01 144.7 26.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -134.58 135.53 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -106.35 138.66 42.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.3 t -140.85 118.85 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.92 132.04 38.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.894 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -128.56 177.07 7.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.404 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.6 t -136.27 157.04 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -43.03 113.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt 66.14 45.15 2.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 3.9 tp10 -100.96 157.54 16.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.467 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.66 101.96 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.4 m -100.11 161.17 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.653 HG22 HG22 ' A' ' 71' ' ' VAL . 94.2 t -140.56 105.08 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.594 HD22 HD23 ' A' ' 70' ' ' LEU . 5.4 mp -81.97 138.82 34.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.1 m -112.1 117.55 32.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.443 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.9 t -140.96 106.92 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.556 ' O ' HD23 ' A' ' 37' ' ' LEU . 10.2 tt0 -95.64 163.59 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 36' ' ' GLU . 57.4 mt -134.92 159.39 41.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 t -86.36 9.25 18.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 47.3 mmt-85 -146.14 138.59 13.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 0.0 110.871 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.827 ' HA ' HG22 ' A' ' 66' ' ' THR . 54.1 Cg_endo -69.66 -49.43 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.8 p-90 -86.69 31.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -92.76 114.92 27.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.67 139.73 30.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.622 HG12 ' HB ' ' A' ' 87' ' ' ILE . 16.3 m -124.3 171.95 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -146.14 125.06 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 60.8 m95 -88.98 133.46 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.2 p -122.55 126.76 48.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HB2' ' CG1' ' A' ' 53' ' ' VAL . 7.1 tmtt? -108.01 98.56 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 t0 74.95 25.03 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.49 -33.62 6.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 6.8 pt-20 -82.75 146.49 28.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.87 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -81.69 110.8 17.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 48' ' ' LYS . 32.2 m -51.62 134.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.3 p -110.59 135.25 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -42.07 150.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.419 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -172.1 166.14 3.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.676 0.751 . . . . 0.0 110.889 -179.787 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.76 4.69 2.05 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.722 2.281 . . . . 0.0 112.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.76 -11.31 7.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.77 HD21 HD21 ' A' ' 61' ' ' LEU . 8.1 tt -134.96 100.27 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.9 mt -91.88 129.55 37.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.77 HD21 HD21 ' A' ' 59' ' ' LEU . 86.2 mt -103.08 110.45 22.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -92.57 148.18 22.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -139.27 111.95 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.681 ' CB ' HG13 ' A' ' 67' ' ' VAL . 1.7 tp10 -86.29 -176.05 5.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -53.55 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.827 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.1 p -119.67 1.59 11.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.681 HG13 ' CB ' ' A' ' 64' ' ' GLU . 2.0 p -126.92 147.8 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.8 mmt-85 -111.14 156.4 21.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 mtm105 -149.15 144.94 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.71 HD13 HD23 ' A' ' 61' ' ' LEU . 7.3 tp -117.4 108.67 15.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.653 HG22 HG22 ' A' ' 32' ' ' VAL . 76.6 t -104.55 134.84 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 7.4 mp -120.68 104.97 41.62 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.648 0.737 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.71 -10.84 29.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.99 106.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.71 173.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -139.8 146.07 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.2 mt -46.71 -28.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -77.99 -37.14 47.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.92 -32.53 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.402 ' CB ' ' H ' ' A' ' 98' ' ' VAL . 52.3 p -59.22 119.46 7.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -168.4 -122.71 0.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -128.2 102.62 6.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -88.16 107.51 18.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -106.55 115.46 30.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.567 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 49.4 t -95.96 107.36 19.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -102.4 138.01 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.622 ' HB ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -109.65 -56.62 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -135.01 -72.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -118.59 -23.93 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 1.2 pm0 -100.64 169.96 8.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 p -146.9 148.49 31.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.58 129.02 50.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -86.07 121.92 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -130.38 100.38 5.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.0 m -80.93 127.29 32.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.23 96.68 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 97.6 m -98.77 114.37 26.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.894 HG22 ' HB3' ' A' ' 25' ' ' ALA . 37.0 t -103.26 141.79 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.8 p -133.08 177.54 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -77.09 134.21 68.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.653 0.739 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 162.66 41.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 177.16 5.84 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.0 p -80.91 129.1 38.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 105' ' ' ILE . 21.4 ptt85 -160.34 118.49 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 105' ' ' ILE . 2.7 mp 34.01 53.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 106' ' ' ILE . 1.6 tp -84.75 95.1 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' ILE . 52.2 t80 -34.7 -52.18 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.1 m -40.32 121.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.49 -157.31 9.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 152.48 69.02 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.639 2.226 . . . . 0.0 112.313 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m -142.56 130.95 22.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' GLY . 1.0 OUTLIER -164.0 148.59 10.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 -179.771 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t -93.63 117.05 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -121.3 123.57 42.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.2 97.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.456 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m -157.5 130.35 7.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -37.5 104.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.27 -41.4 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.8 p -101.48 132.28 47.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 111.132 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -98.35 89.66 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.562 HG11 ' CE2' ' A' ' 13' ' ' TRP . 8.3 p -118.58 143.77 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.7 p -83.09 -59.92 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.8 p -133.24 114.43 13.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.76 ' HB3' HD13 ' A' ' 87' ' ' ILE . 45.6 m95 -59.61 -53.0 63.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.401 HG21 ' HB2' ' A' ' 92' ' ' ALA . 12.0 mt -72.51 95.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 36' ' ' GLU . 14.5 p -73.67 -29.8 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -159.51 146.15 12.44 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.722 0.772 . . . . 0.0 110.884 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.705 ' HG3' HG21 ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.74 169.13 64.78 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.337 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.6 m -104.3 64.22 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.77 -138.05 7.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -100.62 146.11 27.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.705 HG21 ' HG3' ' A' ' 17' ' ' PRO . 87.8 t -133.69 113.0 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -94.48 130.53 40.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.22 138.03 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.8 118.93 35.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.567 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -119.39 176.18 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -131.86 157.38 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -46.38 115.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt 68.9 38.34 2.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.501 ' H ' HG22 ' A' ' 75' ' ' VAL . 4.1 tp10 -99.25 157.77 16.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -102.35 105.64 16.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.567 HG11 ' HB2' ' A' ' 25' ' ' ALA . 28.0 m -107.73 159.89 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.888 HG22 HG22 ' A' ' 71' ' ' VAL . 84.0 t -141.22 108.67 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.694 HD22 HD23 ' A' ' 70' ' ' LEU . 4.7 mp -82.48 144.56 30.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -117.2 119.36 34.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.422 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.1 t -142.46 106.51 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 15' ' ' VAL . 13.6 tt0 -95.76 158.72 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.685 HD11 HG13 ' A' ' 44' ' ' VAL . 33.2 mt -128.96 158.24 39.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.4 t -83.41 6.87 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 23.0 mmt180 -144.85 140.61 16.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.847 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.71 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.578 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.3 p-90 -83.34 31.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -92.6 110.44 21.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -88.24 128.8 35.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.685 HG13 HD11 ' A' ' 37' ' ' LEU . 25.1 m -111.36 167.92 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -146.96 124.87 11.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.582 ' O ' HG22 ' A' ' 53' ' ' VAL . 47.2 m95 -89.56 135.3 33.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.6 p -130.28 132.51 45.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 51' ' ' GLU . 10.9 tttt -102.1 104.02 14.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.44 43.63 7.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.19 -32.25 5.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 48' ' ' LYS . 37.4 mm-40 -78.81 152.42 31.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.64 117.76 30.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 46' ' ' TRP . 30.0 m -57.6 144.54 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -116.06 138.71 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.63 146.56 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.484 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -171.01 169.03 3.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.861 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.72 0.42 5.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.69 -14.03 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.722 HD21 HD21 ' A' ' 61' ' ' LEU . 8.3 tt -134.99 101.9 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.5 mt -95.62 129.72 42.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.722 HD21 HD21 ' A' ' 59' ' ' LEU . 79.4 mt -101.47 109.75 21.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -94.04 146.27 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -136.78 112.71 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.689 ' HB3' HG13 ' A' ' 67' ' ' VAL . 2.5 tp10 -87.77 -177.72 5.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -50.09 -67.41 0.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.847 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.2 p -117.89 1.61 12.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.689 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -126.48 147.43 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.3 mmt-85 -110.63 156.08 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -147.0 148.16 31.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.694 HD23 HD22 ' A' ' 33' ' ' LEU . 5.5 tp -121.56 102.18 8.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.888 HG22 HG22 ' A' ' 32' ' ' VAL . 76.2 t -98.29 141.59 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.0 mp -124.72 106.07 29.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.74 -12.0 32.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.302 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.73 108.23 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.501 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.4 m -106.06 167.65 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -141.62 150.52 42.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.1 mt -44.6 -34.83 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.54 -37.57 82.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -28.19 54.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.6 p -58.88 126.85 29.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.84 -132.07 1.68 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -125.78 101.11 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -86.09 110.69 19.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -109.6 118.12 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.3 t -92.96 107.47 19.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -100.72 131.16 46.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.76 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -106.87 -75.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.588 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 2.5 t70 -116.03 -71.29 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.32 -17.64 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -105.19 168.75 8.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.0 p -144.82 149.98 36.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.401 ' HB2' HG21 ' A' ' 14' ' ' ILE . . . -104.73 135.62 45.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.6 t -88.91 119.28 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -130.02 99.7 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.0 m -82.49 124.72 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.0 t -125.02 100.42 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 90.1 m -98.96 117.48 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 25' ' ' ALA . 65.7 t -105.73 138.14 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 32.9 p -132.92 179.56 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -79.86 135.5 55.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 167.97 22.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.236 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.406 ' O ' ' CG1' ' A' ' 105' ' ' ILE . 54.1 Cg_endo -69.75 168.69 20.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.735 HG22 ' H ' ' A' ' 104' ' ' ARG . 1.4 p -93.36 -178.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.735 ' H ' HG22 ' A' ' 103' ' ' VAL . 8.9 ptp180 45.7 38.53 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 102' ' ' PRO . 2.4 pp -133.02 23.86 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 50.1 mt -72.59 110.58 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -50.44 152.77 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.9 t -101.05 90.31 4.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -126.26 -168.72 12.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.91 23.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.2 t -123.24 124.94 44.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.6 t -112.78 144.86 41.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -128.9 80.9 2.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 62.49 42.23 8.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.17 -83.62 0.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m -131.55 168.24 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.9 m -162.66 113.35 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.06 -42.33 0.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 6' ' ' SER . 38.3 p 41.15 39.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.117 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.45 114.3 25.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 11' ' ' SER . 11.0 p -159.04 155.1 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.405 ' N ' HG22 ' A' ' 10' ' ' VAL . 36.3 t -61.8 -63.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.7 p -125.68 113.66 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.449 ' HB3' HG21 ' A' ' 87' ' ' ILE . 55.0 m95 -64.16 -52.41 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 mt -72.44 99.73 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 36' ' ' GLU . 12.7 p -76.04 -24.93 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -168.32 145.65 3.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.675 0.75 . . . . 0.0 110.927 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.4 Cg_endo -69.78 165.2 77.32 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.332 -0.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.6 t -102.53 63.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.02 -148.48 20.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -93.18 148.89 21.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.2 t -135.11 141.35 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -110.19 138.38 46.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.42 122.5 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.35 123.67 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -124.13 175.89 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -131.28 163.7 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 -50.72 118.82 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt 65.36 38.67 5.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 9.3 tp10 -100.29 158.92 15.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -103.75 119.17 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG2' HD13 ' A' ' 72' ' ' LEU . 29.6 m -115.16 165.67 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 71' ' ' VAL . 93.2 t -144.26 105.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.617 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.2 mp -82.4 140.67 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.6 m -113.82 113.28 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.66 107.07 6.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' O ' HG12 ' A' ' 15' ' ' VAL . 11.5 tt0 -95.85 157.35 15.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.717 HD11 ' CG1' ' A' ' 44' ' ' VAL . 63.8 mt -129.01 156.73 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.1 p -85.08 10.32 12.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.521 ' CD ' ' CZ2' ' A' ' 41' ' ' TRP . 8.9 mmp_? -147.98 136.2 11.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' CA ' HG22 ' A' ' 66' ' ' THR . 53.7 Cg_endo -69.73 -46.97 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.521 ' CZ2' ' CD ' ' A' ' 39' ' ' ARG . 2.0 p-90 -86.35 31.12 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.94 116.91 31.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -88.0 148.18 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.717 ' CG1' HD11 ' A' ' 37' ' ' LEU . 12.3 m -129.3 160.25 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.186 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -139.37 121.46 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.617 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 51.7 m95 -89.95 131.7 35.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.2 p -122.72 128.99 51.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -103.0 95.76 6.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.2 t70 71.13 38.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.52 -31.16 7.01 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.1 143.79 33.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.323 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -83.38 109.94 17.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 m -50.97 136.69 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 p -115.95 132.98 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -42.63 147.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.467 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -171.56 168.43 3.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.729 0.776 . . . . 0.0 110.829 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.1 Cg_endo -69.78 2.25 3.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.14 -12.71 9.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 61' ' ' LEU . 8.1 tt -135.55 105.05 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 64.4 mt -97.95 126.86 43.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.747 HD23 HD13 ' A' ' 70' ' ' LEU . 79.6 mt -98.83 110.62 23.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' ARG . 63.0 mm-40 -93.01 147.31 22.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -139.47 120.15 14.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.663 ' HB3' HG13 ' A' ' 67' ' ' VAL . 2.3 tt0 -99.57 -174.35 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -49.57 -71.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.404 HG22 ' CA ' ' A' ' 40' ' ' PRO . 7.7 p -116.44 1.93 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.663 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.0 p -125.91 142.14 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.5 mmt-85 -111.14 156.24 21.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' GLN . 32.8 mtm180 -147.3 148.5 31.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.747 HD13 HD23 ' A' ' 61' ' ' LEU . 4.9 tp -121.56 108.83 14.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 32' ' ' VAL . 89.5 t -104.06 137.35 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.9 mp -118.5 102.31 50.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.649 0.737 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.41 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 53.2 Cg_endo -69.8 -9.12 25.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.52 105.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -102.18 171.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -139.06 144.07 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.7 mt -47.03 -36.94 8.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -67.66 -38.29 83.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.04 -37.11 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.7 p -46.46 114.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.55 -131.28 1.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -121.99 106.78 11.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -89.17 108.34 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -108.58 120.97 44.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.514 ' SG ' ' CE2' ' A' ' 46' ' ' TRP . 13.0 t -101.1 107.07 18.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -102.07 137.44 40.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.449 HG21 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.06 -55.98 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -134.98 -72.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -119.75 -16.17 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 1.3 pm0 -108.36 169.7 8.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.2 p -147.0 149.27 32.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.29 130.99 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.2 t -85.79 125.51 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -133.98 100.52 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.3 m -81.5 121.0 25.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.9 t -128.36 99.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 96.1 m -103.2 117.66 35.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 25' ' ' ALA . 58.6 t -98.94 148.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 45.2 p -139.91 178.6 7.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -81.87 135.14 48.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.662 0.744 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 165.26 31.51 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -180.0 3.31 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.6 t -110.73 129.84 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.444 ' HB2' ' NH1' ' A' ' 104' ' ' ARG . 22.3 mtm105 -133.45 -45.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 63.9 mt -90.65 113.91 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 18.7 mt -92.63 121.04 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 72.88 54.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.2 m -42.17 -59.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 156.58 167.9 18.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 90.29 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 m -121.95 155.59 35.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 m -136.5 119.11 15.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -90.21 176.39 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -149.76 153.41 36.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.4 168.92 40.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -127.8 154.84 44.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 p -169.32 120.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.36 166.73 11.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.1 m -117.83 126.91 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 111.155 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -119.9 45.48 2.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.47 HG11 ' CZ2' ' A' ' 13' ' ' TRP . 9.6 p -160.19 145.98 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.6 p -70.98 171.51 10.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.6 m -42.49 104.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.525 ' HB3' HG21 ' A' ' 87' ' ' ILE . 20.7 m95 -44.47 -59.65 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 mt -72.94 90.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.572 HG12 ' C ' ' A' ' 36' ' ' GLU . 9.9 p -71.15 -20.1 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -171.01 145.76 1.98 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.702 0.763 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.3 Cg_endo -69.8 166.07 75.1 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.344 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -99.74 63.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.49 -151.04 22.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -88.45 146.96 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.81 135.41 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.46 140.2 38.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.01 129.57 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.9 125.95 51.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.403 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -126.06 177.0 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 t -132.72 154.66 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -43.42 118.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt 64.49 39.5 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.482 ' H ' HG22 ' A' ' 75' ' ' VAL . 15.8 tp10 -98.72 159.73 14.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.07 104.25 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.487 ' CG2' HD13 ' A' ' 72' ' ' LEU . 32.8 m -102.96 162.21 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.751 HG22 HG22 ' A' ' 71' ' ' VAL . 93.4 t -142.52 106.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.627 HD22 HD23 ' A' ' 70' ' ' LEU . 5.8 mp -86.2 144.07 27.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.5 m -116.81 123.06 46.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.45 ' C ' HG23 ' A' ' 67' ' ' VAL . 4.4 t -142.45 106.11 4.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.572 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.7 tt0 -95.9 152.59 18.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.8 mt -125.11 156.28 38.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 t -70.92 -18.1 62.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -130.77 144.46 53.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.862 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.74 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -82.68 37.35 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.09 113.19 24.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -80.99 134.74 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.644 HG12 ' HB ' ' A' ' 87' ' ' ILE . 15.8 m -129.38 173.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.475 ' NE ' ' HB2' ' A' ' 52' ' ' GLU . 17.0 ttt180 -151.76 132.04 13.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.714 ' O ' HG22 ' A' ' 53' ' ' VAL . 64.7 m95 -93.28 131.26 38.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.4 p -121.82 134.87 54.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -112.78 95.63 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 74.99 30.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.8 -33.67 6.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.49 151.75 30.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.475 ' HB2' ' NE ' ' A' ' 45' ' ' ARG . 62.7 tt0 -91.85 111.82 23.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 46' ' ' TRP . 17.3 m -52.7 141.34 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.7 p -117.3 134.59 60.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -43.06 148.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.466 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -172.99 168.44 2.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.901 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.466 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.2 Cg_endo -69.69 2.67 3.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.65 2.234 . . . . 0.0 112.36 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.05 -13.8 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.699 HD21 HD21 ' A' ' 61' ' ' LEU . 7.7 tt -135.07 103.85 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.3 mt -95.48 129.57 42.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.699 HD21 HD21 ' A' ' 59' ' ' LEU . 84.2 mt -102.26 108.44 19.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' ARG . 91.0 mm-40 -93.68 154.02 18.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -140.4 116.32 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.586 ' HB3' HG13 ' A' ' 67' ' ' VAL . 5.4 tt0 -93.09 -177.86 4.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.58 -59.1 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.862 HG22 ' HA ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -134.6 5.55 3.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.586 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.3 p -126.62 118.79 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -82.35 143.7 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 62' ' ' GLN . 38.1 mtm180 -131.17 141.16 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.627 HD23 HD22 ' A' ' 33' ' ' LEU . 6.4 tp -115.73 100.01 7.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.751 HG22 HG22 ' A' ' 32' ' ' VAL . 78.6 t -98.49 136.89 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.487 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -120.1 108.27 38.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -10.5 28.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.24 106.54 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.156 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.482 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.8 m -101.22 174.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -142.63 145.98 34.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.607 HD23 HG12 ' A' ' 98' ' ' VAL . 62.6 mt -47.4 -36.47 9.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.4 -37.76 80.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -55.69 -33.45 64.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.9 p -56.4 114.8 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -163.16 -118.24 0.44 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -132.83 99.9 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -85.19 107.12 17.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -107.73 116.26 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.42 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 18.2 t -95.12 107.22 19.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -101.38 140.48 35.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.644 ' HB ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -112.43 -60.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.41 ' H ' HG23 ' A' ' 87' ' ' ILE . 1.2 t70 -134.96 -72.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -119.89 -9.38 9.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -112.43 168.02 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.5 p -147.19 142.92 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.72 128.07 51.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.8 t -85.95 125.3 33.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -131.56 99.97 4.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.3 m -80.43 124.45 28.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.2 t -128.49 92.49 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.5 m -91.05 122.79 34.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.607 HG12 HD23 ' A' ' 77' ' ' LEU . 61.9 t -105.07 143.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.3 p -133.29 173.51 11.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -75.38 132.84 75.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 162.91 40.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.242 . . . . 0.0 112.35 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -178.88 2.58 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.225 . . . . 0.0 112.335 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.59 134.21 44.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -119.58 -58.78 1.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.5 tt -77.02 82.73 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 107' ' ' TYR . 27.9 mt -67.72 -44.82 85.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.448 ' C ' ' O ' ' A' ' 106' ' ' ILE . 8.9 t80 -34.45 -44.16 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.9 t -120.8 152.27 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -121.33 152.36 16.83 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 120.87 7.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.739 2.293 . . . . 0.0 112.328 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.4 p -47.74 144.13 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.5 t -46.69 -52.78 13.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -44.96 125.53 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.856 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -56.33 171.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -82.37 -87.26 0.73 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 27.9 t -37.39 -55.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 p -174.1 140.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.42 -137.51 2.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 m -89.61 93.31 9.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.761 0.315 . . . . 0.0 111.137 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -109.17 107.84 18.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.7 174.55 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 t -86.8 -53.3 5.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 p -143.33 115.92 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.702 ' HB3' HD13 ' A' ' 87' ' ' ILE . 56.5 m95 -66.33 -52.98 41.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.418 ' CD1' ' C ' ' A' ' 91' ' ' SER . 15.5 mt -71.19 102.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.424 HG12 ' C ' ' A' ' 36' ' ' GLU . 11.1 p -79.34 -28.95 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -160.3 146.42 11.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.655 0.741 . . . . 0.0 110.963 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.9 Cg_endo -69.8 164.77 78.5 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.36 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -100.65 63.31 1.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.29 -153.27 25.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -91.0 143.63 26.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -130.73 129.02 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -100.04 135.29 41.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.1 t -139.78 132.13 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.27 127.4 54.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -123.86 176.99 5.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.449 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.5 t -138.18 158.03 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -42.71 111.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 mt 67.69 45.36 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' CB ' ' H ' ' A' ' 26' ' ' VAL . 30.8 tp10 -100.37 160.18 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -102.26 101.56 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.461 ' CG2' HD13 ' A' ' 72' ' ' LEU . 19.2 m -100.0 157.76 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -139.94 105.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mp -89.68 131.92 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.2 m -107.54 119.41 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.446 ' C ' HG23 ' A' ' 67' ' ' VAL . 2.6 t -137.89 108.77 6.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.9 tt0 -96.19 161.32 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.785 HD11 ' CG1' ' A' ' 44' ' ' VAL . 35.4 mt -134.05 154.29 51.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.0 p -79.22 2.98 19.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.3 mmt180 -142.34 138.0 16.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.906 ' HA ' HG22 ' A' ' 66' ' ' THR . 54.0 Cg_endo -69.75 -50.43 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.296 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.6 p-90 -84.15 30.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.82 114.05 26.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -80.93 138.24 36.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.785 ' CG1' HD11 ' A' ' 37' ' ' LEU . 5.5 m -123.27 166.79 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.443 ' NH1' ' OE1' ' A' ' 52' ' ' GLU . 54.1 ttm-85 -150.48 126.65 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -92.65 141.77 28.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.3 p -136.08 130.63 33.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -106.43 100.53 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.2 t0 74.09 25.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.96 -33.87 6.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -80.97 147.0 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' OE1' ' NH1' ' A' ' 45' ' ' ARG . 8.6 tt0 -82.94 125.04 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 m -64.88 135.33 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.0 141.22 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -48.19 148.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.533 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 1.1 p -171.52 166.71 4.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 54.2 Cg_endo -69.78 4.31 2.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.627 2.218 . . . . 0.0 112.382 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -123.68 -4.11 8.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.71 HD21 HD21 ' A' ' 61' ' ' LEU . 8.1 tt -143.39 104.97 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 mt -99.79 126.3 45.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.71 HD21 HD21 ' A' ' 59' ' ' LEU . 76.5 mt -95.21 112.75 24.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -101.39 151.07 22.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -139.65 119.74 13.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.67 ' HB3' HG13 ' A' ' 67' ' ' VAL . 2.1 tp10 -94.23 179.44 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -38.82 -65.83 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.906 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.0 OUTLIER -127.96 4.69 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.67 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.2 p -125.25 123.65 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -86.96 148.76 25.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -138.19 142.34 40.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.623 HD13 HD23 ' A' ' 61' ' ' LEU . 5.8 tp -115.44 107.16 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.5 t -104.28 137.35 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.0 mp -123.17 105.38 34.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.72 -14.49 36.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.565 ' O ' ' HB1' ' A' ' 58' ' ' ALA . . . -160.56 105.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.42 HG12 ' HB3' ' A' ' 72' ' ' LEU . 1.2 m -101.92 178.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.41 ' N ' HG23 ' A' ' 75' ' ' VAL . 28.9 mm-40 -149.16 156.03 41.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.683 HD23 HG12 ' A' ' 98' ' ' VAL . 28.8 mt -53.79 -30.27 44.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -79.32 -25.03 42.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -78.31 5.54 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 t -95.98 154.51 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 154.66 -117.83 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -129.4 106.09 8.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -87.84 107.03 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -104.76 122.87 46.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 21.3 t -101.25 107.44 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -101.22 134.86 43.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.702 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.55 -58.63 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.554 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 5.6 t0 -135.01 -72.23 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -118.64 -24.13 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -101.94 169.55 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.418 ' C ' ' CD1' ' A' ' 14' ' ' ILE . 57.9 p -144.46 151.09 38.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -103.53 136.7 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.1 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 t -92.3 122.97 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -135.01 100.19 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.8 m -81.76 120.5 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.0 t -128.59 94.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 97.3 m -91.7 122.86 34.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.683 HG12 HD23 ' A' ' 77' ' ' LEU . 72.5 t -104.54 142.95 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.9 p -141.11 173.66 11.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -76.25 134.47 70.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.74 40.92 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 173.15 11.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.5 p -83.85 131.68 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.426 ' C ' HD13 ' A' ' 105' ' ' ILE . 57.4 mtm180 -133.96 -74.95 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.426 HD13 ' C ' ' A' ' 104' ' ' ARG . 8.6 mm -115.46 49.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.1 tt -54.88 160.02 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -123.56 -49.93 1.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.3 p 40.62 41.75 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.82 -102.0 2.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 160.49 49.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.4 p 38.33 43.28 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 113' ' ' GLY . 80.5 p -62.54 -45.46 92.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 112' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -155.55 159.58 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -152.29 169.09 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.78 98.83 0.6 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 m -39.39 127.03 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -132.45 154.65 49.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.29 98.94 0.78 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 8' ' ' THR . 4.6 t -166.69 114.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.333 . . . . 0.0 111.118 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.23 105.54 1.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.8 p -160.23 149.25 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.4 p -108.5 -54.35 2.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -128.91 105.29 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.609 ' HB3' HD13 ' A' ' 87' ' ' ILE . 61.8 m95 -50.47 -56.59 10.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.464 HG21 ' HB2' ' A' ' 92' ' ' ALA . 11.4 mt -66.44 94.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG12 ' C ' ' A' ' 36' ' ' GLU . 14.2 p -70.18 -33.53 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -156.67 145.98 15.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.897 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.0 Cg_endo -69.75 171.56 53.07 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.372 -0.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t -104.41 63.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.96 -151.35 22.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -89.57 145.84 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.7 t -134.13 139.62 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -107.81 139.22 42.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -142.08 131.26 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.2 138.68 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.725 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -136.21 177.1 8.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.409 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.7 t -138.32 159.63 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 2.0 tpt180 -45.29 111.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt 68.01 44.68 1.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 23.6 tp10 -100.29 162.53 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 4.0 tmt_? -106.9 103.11 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.435 ' CG2' HD13 ' A' ' 72' ' ' LEU . 34.2 m -101.07 162.21 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.625 HG22 HG22 ' A' ' 71' ' ' VAL . 94.3 t -141.08 105.44 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.569 HD22 HD23 ' A' ' 70' ' ' LEU . 5.1 mp -83.78 134.9 34.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.949 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.472 HG22 ' CE1' ' A' ' 16' ' ' TYR . 22.1 m -108.51 113.21 26.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.401 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.7 t -137.35 105.08 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.0 tt0 -95.74 161.1 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.673 HD11 ' CG1' ' A' ' 44' ' ' VAL . 28.2 mt -130.57 161.29 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 t -84.94 8.24 18.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.619 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 18.1 mmt180 -148.68 140.15 14.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.587 0.708 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.6 Cg_endo -69.77 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.58 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.1 p-90 -83.51 26.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.619 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -89.18 110.62 21.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.062 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -80.76 143.43 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.673 ' CG1' HD11 ' A' ' 37' ' ' LEU . 11.3 m -126.17 163.3 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 -139.88 129.74 24.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.515 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 75.9 m95 -95.78 143.07 27.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.7 p -140.79 132.82 27.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 51' ' ' GLU . 24.5 tttm -106.82 108.4 19.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.6 t70 59.49 48.93 9.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 -29.69 4.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.441 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' LYS . 23.7 mt-10 -82.85 161.74 21.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -98.83 134.16 42.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 46' ' ' TRP . 33.8 m -78.67 131.96 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -109.03 137.51 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -44.87 147.96 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.438 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.38 167.13 4.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.699 0.761 . . . . 0.0 110.835 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.4 Cg_endo -69.74 3.61 2.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.53 -11.81 8.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.72 HD21 HD21 ' A' ' 61' ' ' LEU . 8.1 tt -134.99 98.93 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.435 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 64.5 mt -93.17 126.56 38.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.72 HD21 HD21 ' A' ' 59' ' ' LEU . 82.0 mt -96.79 112.6 24.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 69' ' ' ARG . 69.1 mm-40 -98.38 148.28 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.51 125.66 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.594 ' HB3' HG13 ' A' ' 67' ' ' VAL . 5.2 tt0 -101.36 -174.91 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -48.85 -71.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 40' ' ' PRO . 5.2 p -114.89 -0.33 13.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -125.03 143.94 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -107.06 156.12 19.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 62' ' ' GLN . 35.6 mtm180 -143.18 145.58 32.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.611 HD13 HD23 ' A' ' 61' ' ' LEU . 3.9 tp -119.46 99.61 6.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.625 HG22 HG22 ' A' ' 32' ' ' VAL . 77.8 t -95.9 137.98 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.435 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -122.62 104.23 36.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.435 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 54.2 Cg_endo -69.72 -11.8 31.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.34 107.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.428 HG23 HG11 ' A' ' 98' ' ' VAL . 1.3 m -105.5 172.02 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -142.56 144.26 32.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' HG ' ' CD ' ' A' ' 27' ' ' ARG . 48.3 mt -45.71 -35.32 4.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -67.13 -39.78 86.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.11 -34.5 66.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.9 p -49.67 124.68 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.53 -124.57 0.85 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -130.19 103.48 6.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -83.95 107.29 16.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.94 127.91 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.9 t -111.07 107.17 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.56 137.81 39.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -110.43 -55.43 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -134.96 -72.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -119.41 -24.47 6.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -101.46 169.02 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.7 p -145.04 148.77 34.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.464 ' HB2' HG21 ' A' ' 14' ' ' ILE . . . -103.37 135.98 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -93.69 128.11 39.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -134.8 99.87 4.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.4 m -80.37 124.82 29.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.9 t -130.7 96.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.3 m -93.41 116.15 28.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.725 HG22 ' HB3' ' A' ' 25' ' ' ALA . 48.9 t -99.65 139.07 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.8 p -131.73 -178.79 5.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -86.21 137.1 35.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.7 65.44 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.402 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 174.47 9.44 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.274 . . . . 0.0 112.299 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.76 116.37 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -124.19 -61.29 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.408 HG22 ' H ' ' A' ' 105' ' ' ILE . 3.3 tt -76.54 115.48 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.17 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 78.0 mt -114.93 110.57 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -71.23 163.45 27.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 109' ' ' GLY . 57.5 p -124.1 153.13 41.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 108' ' ' SER . . . -36.39 125.29 0.91 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 1.09 4.77 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.315 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.4 p -104.42 -46.21 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 80.9 p -144.24 113.28 6.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -81.02 -62.22 1.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 110.856 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -139.13 157.98 45.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.4 95.98 0.36 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.436 ' HB3' ' CZ3' ' A' ' 41' ' ' TRP . 57.8 m -102.24 125.3 48.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -116.37 110.42 18.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.26 -178.96 19.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 9' ' ' ASP . 27.1 m -63.76 156.7 26.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 111.159 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.448 ' N ' HG22 ' A' ' 8' ' ' THR . 4.9 t70 -47.59 106.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.845 HG21 ' CE2' ' A' ' 13' ' ' TRP . 27.3 m -82.46 83.43 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' VAL . 16.2 m -37.4 -52.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.9 p -143.5 117.27 9.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.845 ' CE2' HG21 ' A' ' 10' ' ' VAL . 59.1 m95 -64.23 -48.87 74.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.2 mt -74.28 101.99 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 36' ' ' GLU . 12.4 p -80.37 -30.75 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -162.09 145.17 8.99 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.696 0.76 . . . . 0.0 110.896 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.69 ' HG3' HG21 ' A' ' 21' ' ' VAL . 53.6 Cg_endo -69.76 167.41 71.11 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.348 -0.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.9 p -112.47 66.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.41 -131.34 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -107.91 145.4 33.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.69 HG21 ' HG3' ' A' ' 17' ' ' PRO . 87.0 t -134.56 116.26 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -98.67 135.0 40.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -138.51 139.72 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.28 134.74 54.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.68 173.24 11.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 t -129.35 160.61 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 7.1 tpt180 -47.31 119.29 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 mt 64.32 40.59 6.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 35.7 tp10 -102.44 159.65 15.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.38 119.14 38.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 72' ' ' LEU . 22.4 m -115.93 165.75 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 71' ' ' VAL . 85.4 t -144.04 105.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.643 HD22 HD23 ' A' ' 70' ' ' LEU . 5.1 mp -81.9 142.51 32.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 m -113.37 114.82 27.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -139.03 106.15 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.429 ' O ' HG12 ' A' ' 15' ' ' VAL . 11.2 tt0 -95.76 156.26 16.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.645 HD11 ' CG1' ' A' ' 44' ' ' VAL . 31.3 mt -128.4 159.51 35.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.76 13.04 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.519 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 22.4 mmt180 -150.04 138.56 12.44 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.566 0.698 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.5 Cg_endo -69.8 -47.48 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.313 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.519 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.5 p-90 -88.43 33.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.61 110.33 21.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -83.25 129.82 35.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 37' ' ' LEU . 14.7 m -116.78 164.21 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -144.6 123.4 12.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.564 ' O ' HG22 ' A' ' 53' ' ' VAL . 42.6 m95 -90.01 134.82 34.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.7 p -125.27 131.19 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -101.04 93.68 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 73.55 36.6 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.48 -29.37 9.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -80.96 143.98 32.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -83.96 112.47 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 46' ' ' TRP . 33.1 m -52.55 145.8 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.1 p -121.31 123.12 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.4 mt-10 -35.49 147.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -171.88 167.11 3.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.748 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.74 6.28 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.46 -13.97 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.816 HD21 HD21 ' A' ' 61' ' ' LEU . 7.2 tt -134.97 99.8 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.449 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 52.1 mt -93.5 125.86 38.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.816 HD21 HD21 ' A' ' 59' ' ' LEU . 59.3 mt -96.69 112.07 23.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 57.1 mm-40 -93.22 146.77 23.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HG3' ' C ' ' A' ' 62' ' ' GLN . 37.5 mttt -140.77 117.47 10.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.698 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.1 tt0 -96.82 -174.76 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -50.71 -71.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 40' ' ' PRO . 7.1 p -115.15 2.78 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.698 HG13 ' HB3' ' A' ' 64' ' ' GLU . 1.6 p -127.21 142.29 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -112.0 155.07 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -146.64 150.28 35.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 61' ' ' LEU . 6.1 tp -121.14 106.11 11.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 32' ' ' VAL . 92.0 t -101.4 136.71 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 71' ' ' VAL . 6.7 mp -119.7 102.03 47.69 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.603 0.716 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.449 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 53.6 Cg_endo -69.76 -8.69 24.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.37 105.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 76' ' ' GLN . 1.1 m -102.71 178.33 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.417 ' N ' HG23 ' A' ' 75' ' ' VAL . 8.0 mp0 -147.54 150.52 34.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.427 HD23 HG12 ' A' ' 98' ' ' VAL . 61.0 mt -52.86 -34.87 56.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.12 -37.27 75.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.17 -35.4 67.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.4 p -47.44 117.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.39 -132.47 1.45 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.99 105.14 10.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -86.36 107.4 17.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -107.83 120.32 41.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 11.4 t -98.46 107.15 19.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -100.79 136.7 40.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.761 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -111.06 -57.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.47 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 7.7 t0 -135.0 -72.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -118.45 -24.48 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -102.75 170.35 8.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.2 p -146.03 151.47 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.51 129.66 50.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.2 t -85.78 124.7 32.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -134.1 99.91 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.24 25.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.0 t -126.73 105.32 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 80.9 m -104.97 124.45 49.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.427 HG12 HD23 ' A' ' 77' ' ' LEU . 57.5 t -106.25 149.71 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.1 p -143.31 179.97 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -83.55 136.21 42.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 162.75 40.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 179.12 3.9 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.382 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.6 t -119.33 130.45 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -115.6 -51.07 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.9 pt -127.54 155.79 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 66.7 mt -130.31 145.3 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -156.22 123.32 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.6 t -80.1 -54.98 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.16 140.94 1.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 129.22 17.25 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 0.0 112.317 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 m -89.1 166.49 13.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 99.0 p -75.04 -50.7 15.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.51 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p -119.11 167.4 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -94.56 157.49 15.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.6 47.42 0.68 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p -120.66 127.72 52.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 p -81.28 -60.55 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.36 179.51 20.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.6 p -87.43 151.95 22.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 111.153 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -87.75 88.26 7.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.43 167.6 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.0 m -98.64 -58.03 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 p -114.88 102.74 10.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.71 ' HB3' HD13 ' A' ' 87' ' ' ILE . 39.4 m95 -54.18 -57.37 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.3 mt -74.69 90.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 36' ' ' GLU . 10.8 p -68.43 -21.48 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.549 ' CG ' ' HA ' ' A' ' 17' ' ' PRO . 1.3 t80 -174.31 145.0 0.99 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.675 0.75 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.894 ' HG3' HG21 ' A' ' 21' ' ' VAL . 54.0 Cg_endo -69.81 163.95 80.64 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.353 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -109.74 66.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.52 172.62 14.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 130.05 23.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.356 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.894 HG21 ' HG3' ' A' ' 17' ' ' PRO . 89.4 t -111.66 139.48 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -121.51 134.2 55.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -145.38 141.52 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.63 142.27 46.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.83 176.8 8.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -133.07 160.6 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -48.33 114.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 mt 69.84 43.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.461 ' O ' HG13 ' A' ' 75' ' ' VAL . 5.3 tp10 -103.25 162.03 13.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.42 110.11 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.439 ' CG2' HD13 ' A' ' 72' ' ' LEU . 34.4 m -108.79 162.85 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.484 HG22 HG22 ' A' ' 71' ' ' VAL . 90.2 t -142.3 105.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.726 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 4.3 mp -83.18 132.93 35.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.3 m -106.84 113.62 27.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.38 105.23 6.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.53 ' O ' HG12 ' A' ' 15' ' ' VAL . 12.6 tt0 -95.83 152.67 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.726 HD11 ' CG1' ' A' ' 44' ' ' VAL . 50.2 mt -125.65 154.2 42.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 p -81.71 5.8 17.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.743 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 11.1 mmt180 -142.76 137.83 15.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.853 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.627 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.5 Cg_endo -69.8 -49.68 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.564 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.8 p-90 -83.41 21.39 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.743 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -83.81 112.91 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -86.07 140.38 30.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.726 ' CG1' HD11 ' A' ' 37' ' ' LEU . 16.4 m -127.27 165.24 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -147.38 125.8 12.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.726 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 52.1 m95 -87.89 133.47 33.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.3 p -122.37 131.36 53.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 83' ' ' TYR . 14.5 tttt -106.26 97.31 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 71.68 34.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.93 -27.25 17.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -83.41 151.66 25.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -87.45 115.91 25.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 46' ' ' TRP . 34.4 m -45.01 149.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 54' ' ' VAL . 9.8 p -125.57 113.19 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' VAL . 6.0 mt-10 -33.77 147.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.469 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -170.29 168.46 4.22 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.664 0.745 . . . . 0.0 110.865 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.1 Cg_endo -69.79 1.28 4.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -117.82 -10.1 10.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.747 HD21 HD21 ' A' ' 61' ' ' LEU . 6.8 tt -138.44 111.29 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.6 mt -105.1 125.76 51.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.855 HD23 HD13 ' A' ' 70' ' ' LEU . 62.4 mt -96.01 111.19 23.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 75.7 mm-40 -94.97 150.93 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' HG3' ' C ' ' A' ' 62' ' ' GLN . 46.9 mttt -144.79 117.25 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.655 ' HB3' HG13 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -96.49 -174.37 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -48.41 -71.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 40' ' ' PRO . 7.2 p -116.94 3.74 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.655 HG13 ' HB3' ' A' ' 64' ' ' GLU . 1.8 p -126.98 133.62 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.0 mmt-85 -106.66 151.21 25.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 62' ' ' GLN . 58.4 mtm180 -144.21 150.89 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.855 HD13 HD23 ' A' ' 61' ' ' LEU . 3.2 tp -121.03 101.67 7.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.484 HG22 HG22 ' A' ' 32' ' ' VAL . 92.6 t -95.86 143.92 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.439 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.1 mp -126.18 107.43 24.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.17 34.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.404 ' O ' ' HB1' ' A' ' 58' ' ' ALA . . . -164.66 107.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 29' ' ' GLU . 1.2 m -102.66 175.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -144.53 150.98 38.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.57 -33.48 46.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -35.3 75.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.82 -34.67 74.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -50.37 118.8 3.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.69 -124.24 0.7 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -131.67 100.0 4.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 48' ' ' LYS . 16.0 m-85 -83.93 111.16 19.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 93' ' ' SER . 2.0 mm? -110.45 110.02 20.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.546 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 35.0 t -88.51 106.16 18.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.74 155.43 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.754 HG23 ' H ' ' A' ' 88' ' ' ASP . 0.5 OUTLIER -130.19 -74.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.754 ' H ' HG23 ' A' ' 87' ' ' ILE . 3.7 t70 -123.68 -71.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -121.73 -10.48 8.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -107.53 169.52 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.431 ' HB2' HD12 ' A' ' 84' ' ' LEU . 3.4 p -147.16 137.97 23.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -103.47 122.97 46.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.447 ' HA ' HD22 ' A' ' 84' ' ' LEU . 20.3 t -85.77 131.37 34.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.48 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 20.1 m-85 -135.01 99.58 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.6 m -80.04 103.48 9.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.08 98.54 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.5 m -95.58 135.83 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 19.1 t -117.33 135.62 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.6 p -125.54 -179.72 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -85.85 136.48 36.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 155.77 65.14 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.713 2.275 . . . . 0.0 112.338 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -178.65 2.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 103' ' ' VAL . 13.9 p -60.41 119.07 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.492 ' O ' HG23 ' A' ' 106' ' ' ILE . 4.7 tpm_? -107.54 151.21 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.454 ' N ' ' HG3' ' A' ' 104' ' ' ARG . 55.0 mt -56.55 107.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 104' ' ' ARG . 2.7 pp -105.93 159.21 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -120.27 175.03 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 m -62.81 103.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 126.9 82.1 0.4 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 160.66 48.86 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -86.06 177.08 7.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.6 t -128.7 165.59 20.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -170.27 124.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -141.37 137.72 32.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.44 131.37 5.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -70.08 145.59 51.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.94 0.4 . . . . 0.0 110.791 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.5 p -89.44 42.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.29 70.76 0.45 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -83.21 135.28 34.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.317 . . . . 0.0 111.154 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -113.46 99.59 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.9 t -97.89 120.86 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -74.54 -51.66 14.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 p -151.72 113.69 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.669 ' CE3' HD11 ' A' ' 87' ' ' ILE . 37.3 m95 -60.2 -57.25 13.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.9 mt -76.06 102.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.498 HG12 ' C ' ' A' ' 36' ' ' GLU . 12.0 p -80.0 -22.57 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.565 ' HA ' ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -168.6 144.19 2.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.73 165.55 76.26 Favored 'Cis proline' 0 C--O 1.231 0.144 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.322 -0.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -99.29 62.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.54 -150.83 22.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -89.63 148.44 23.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -135.12 148.25 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -115.3 138.69 50.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.0 t -143.18 128.13 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.93 145.25 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -145.25 176.26 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.452 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.2 t -136.08 160.63 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.061 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 ttp85 -45.39 111.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt 68.72 44.18 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 9.5 tp10 -99.33 162.17 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -105.21 104.49 14.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 m -105.57 159.07 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.903 HG22 HG22 ' A' ' 71' ' ' VAL . 72.3 t -141.76 105.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.517 HD22 HD23 ' A' ' 70' ' ' LEU . 4.2 mp -84.54 140.67 31.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.0 m -113.32 119.42 37.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.432 ' C ' HG23 ' A' ' 67' ' ' VAL . 3.5 t -138.25 106.82 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.498 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.8 tt0 -95.93 154.89 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.469 HD11 ' CG1' ' A' ' 44' ' ' VAL . 32.8 mt -129.43 155.01 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.9 p -78.97 2.54 19.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 39.3 mmt-85 -139.5 136.49 17.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.833 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.5 Cg_endo -69.78 -51.09 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.363 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.3 p-90 -84.16 29.25 0.57 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.91 109.91 20.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.16 136.31 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' A' ' 87' ' ' ILE . 30.1 m -123.77 175.62 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -154.25 125.32 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 60.2 m95 -86.3 134.06 33.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.8 p -129.0 128.51 43.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 51' ' ' GLU . 17.0 tttm -101.52 100.78 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 64.35 43.46 4.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.6 -33.0 4.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.444 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' LYS . 19.8 mt-10 -78.38 149.04 33.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.72 128.61 36.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.03 140.6 18.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -118.98 128.68 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -39.94 145.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.456 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -167.67 168.01 6.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.701 0.762 . . . . 0.0 110.867 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.456 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.0 Cg_endo -69.78 3.3 2.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.722 2.281 . . . . 0.0 112.291 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.46 -3.26 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 59' ' ' LEU . 7.2 tt -143.73 105.02 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -98.89 130.13 45.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.596 HD21 HD21 ' A' ' 59' ' ' LEU . 62.1 mt -99.69 111.69 24.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' ARG . 64.2 mm-40 -93.35 148.48 22.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.78 120.29 12.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.673 ' HB3' HG13 ' A' ' 67' ' ' VAL . 1.1 tp10 -98.85 -176.43 3.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -43.85 -71.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.833 HG22 ' HA ' ' A' ' 40' ' ' PRO . 0.8 OUTLIER -120.29 6.19 10.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.673 HG13 ' HB3' ' A' ' 64' ' ' GLU . 1.7 p -127.34 131.55 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -95.47 153.97 17.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' GLN . 26.9 mtt180 -143.43 147.44 34.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.577 HD13 HD23 ' A' ' 61' ' ' LEU . 7.9 tp -119.88 107.51 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.903 HG22 HG22 ' A' ' 32' ' ' VAL . 52.9 t -104.65 136.0 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 71' ' ' VAL . 6.8 mp -121.0 107.29 37.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.591 0.71 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.2 Cg_endo -69.71 -15.11 37.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.372 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.23 106.74 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.44 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.3 m -104.88 159.87 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -132.42 149.89 52.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.3 mt -49.21 -28.19 4.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -68.26 -34.58 76.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -36.78 77.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.9 p -43.32 115.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.07 -127.53 0.99 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -133.22 104.9 6.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -84.73 109.65 18.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.42 113.54 26.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.529 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 44.1 t -94.37 106.89 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -96.01 149.57 21.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.77 HG23 ' H ' ' A' ' 88' ' ' ASP . 0.7 OUTLIER -123.92 -70.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.77 ' H ' HG23 ' A' ' 87' ' ' ILE . 4.7 t0 -124.61 -72.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -121.63 -15.11 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -106.01 174.37 5.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.4 p -147.72 146.66 29.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.529 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -103.71 128.5 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.2 t -87.4 130.9 34.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -139.93 104.97 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.2 m -86.34 120.28 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 68.3 t -125.84 105.07 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 83.1 m -102.92 119.55 39.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 25' ' ' ALA . 58.5 t -102.03 145.91 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.7 p -136.78 -176.84 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -90.16 134.98 30.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.74 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 161.46 45.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 177.81 5.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.365 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.26 141.97 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.0 mmt-85 -131.69 -59.31 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.517 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.6 pp -141.64 148.13 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.4 mt -127.69 105.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -146.47 154.12 41.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.9 t -52.01 136.18 29.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.72 101.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 137.3 35.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.4 t -146.39 109.11 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 t -59.2 155.0 15.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.52 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -51.66 158.88 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -147.4 165.01 31.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.21 -119.1 0.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -64.46 -49.64 70.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.379 . . . . 0.0 110.88 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 t -67.83 154.44 41.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.28 98.96 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.498 HG23 HG12 ' A' ' 10' ' ' VAL . 9.4 t -91.98 139.71 30.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.16 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -96.66 43.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.498 HG12 HG23 ' A' ' 8' ' ' THR . 7.2 p -95.64 -34.62 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 10' ' ' VAL . 66.2 m 34.27 47.99 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.5 m -154.62 125.77 7.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.811 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.758 ' HB3' HD13 ' A' ' 87' ' ' ILE . 71.5 m95 -85.45 -49.72 7.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.448 HG21 ' HB2' ' A' ' 92' ' ' ALA . 14.9 mt -70.65 94.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG12 ' C ' ' A' ' 36' ' ' GLU . 13.4 p -70.53 -29.09 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -161.26 145.87 10.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.2 Cg_endo -69.68 172.38 48.97 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.385 -0.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p -106.65 64.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.62 -145.4 15.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -96.8 145.59 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.6 t -134.04 133.97 55.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -103.5 139.49 38.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.3 t -142.51 132.42 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.51 133.88 50.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.744 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -129.66 176.57 7.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -136.92 158.15 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -43.78 112.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt 65.74 46.01 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 17.8 tp10 -101.36 160.03 14.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.88 101.84 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' CG2' HD13 ' A' ' 72' ' ' LEU . 17.5 m -100.16 159.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 71' ' ' VAL . 97.4 t -142.05 106.94 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.489 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.1 mp -85.36 137.9 32.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -110.2 114.41 27.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -138.39 108.79 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 37' ' ' LEU . 11.7 tt0 -95.61 165.62 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.53 HD11 HG13 ' A' ' 44' ' ' VAL . 43.6 mt -136.57 160.76 37.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.3 p -87.68 8.19 26.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.583 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.1 mmt180 -146.51 139.73 14.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 0.0 110.844 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.558 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.4 Cg_endo -69.83 -50.46 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.583 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.2 p-90 -84.1 29.15 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -94.02 109.77 21.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -85.19 144.87 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.53 HG13 HD11 ' A' ' 37' ' ' LEU . 21.5 m -121.2 165.09 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -139.91 118.92 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.505 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 59.8 m95 -89.81 132.28 35.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.9 p -125.93 131.43 52.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 15.9 tttm -102.87 93.59 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 74.92 25.07 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.21 -33.55 6.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 6.9 pt-20 -79.08 141.96 36.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -79.51 121.79 25.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 m -63.51 135.72 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.88 140.76 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -51.09 148.2 4.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.443 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.4 167.49 3.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.863 -179.764 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.5 Cg_endo -69.76 4.5 2.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.47 -6.44 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.766 HD21 HD21 ' A' ' 61' ' ' LEU . 7.8 tt -141.92 105.0 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 69.6 mt -97.85 127.87 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.766 HD21 HD21 ' A' ' 59' ' ' LEU . 78.7 mt -99.91 110.45 22.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -91.87 147.83 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -139.51 115.95 10.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.958 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.615 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.7 tt0 -93.02 -175.41 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.52 -66.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 40' ' ' PRO . 2.2 p -119.55 -0.78 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.4 p -123.53 145.52 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.1 mmt-85 -112.54 156.09 23.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -147.4 147.12 29.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.636 HD13 HD23 ' A' ' 61' ' ' LEU . 5.8 tp -116.6 106.36 13.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 32' ' ' VAL . 85.1 t -102.85 134.03 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.432 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.2 mp -118.78 107.62 42.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.78 -14.74 36.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.358 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.01 106.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.96 169.8 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -137.44 142.78 41.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.469 HD23 HG12 ' A' ' 98' ' ' VAL . 53.1 mt -44.81 -38.38 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -36.2 83.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -56.25 -36.11 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.7 p -44.88 114.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.12 -139.48 2.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -116.26 101.19 8.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -83.92 103.25 13.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.87 125.42 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.505 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 43.8 t -101.85 107.43 18.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -102.37 129.96 48.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.758 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -105.64 -67.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.59 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 1.9 t70 -122.74 -71.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -122.21 -22.06 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -100.26 168.47 9.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.7 p -145.79 146.9 31.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.448 ' HB2' HG21 ' A' ' 14' ' ' ILE . . . -104.32 133.14 49.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -89.59 125.23 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -133.77 99.99 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.7 m -80.28 122.94 27.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 82.7 t -127.04 95.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.7 m -93.93 116.14 28.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.744 HG22 ' HB3' ' A' ' 25' ' ' ALA . 58.8 t -101.33 137.82 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.5 p -132.83 178.14 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -80.58 137.38 51.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.63 30.31 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.38 21.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.58 142.24 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' ILE . 53.4 mtt180 -135.72 141.93 44.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 104' ' ' ARG . 80.5 mt -37.02 125.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 64.8 mt -67.38 124.27 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -117.89 -48.36 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.0 t -149.11 159.93 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 151.89 84.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 141.15 44.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.4 p -63.17 101.87 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.4 t -68.36 128.02 35.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -72.87 166.23 23.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 0.0 110.842 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 m -75.83 145.74 40.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.7 170.46 32.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -105.21 -58.22 1.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m 59.56 41.94 18.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.87 96.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 m -134.1 98.83 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 111.162 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 40.26 41.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.415 HG22 ' N ' ' A' ' 11' ' ' SER . 13.1 p -88.59 154.91 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 12' ' ' SER . 20.9 m -88.21 176.79 7.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' SER . 3.9 m -36.64 102.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.599 ' HB3' HD13 ' A' ' 87' ' ' ILE . 61.8 m95 -41.51 -55.13 2.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.1 mt -71.41 92.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.449 HG12 ' C ' ' A' ' 36' ' ' GLU . 9.7 p -69.41 -28.9 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -164.4 145.65 6.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.752 0.787 . . . . 0.0 110.886 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.76 165.51 76.44 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.34 -0.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -109.92 66.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.37 -151.56 23.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -87.46 145.8 26.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.468 HG21 ' HG3' ' A' ' 17' ' ' PRO . 86.6 t -135.04 123.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -101.52 137.7 39.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.8 t -142.39 128.15 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.32 123.83 50.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.96 172.78 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.433 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 1.5 t -124.41 158.6 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -45.17 121.59 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt 62.59 35.46 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 11.1 tp10 -96.66 155.92 16.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -100.73 121.44 41.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.404 ' CG2' HD13 ' A' ' 72' ' ' LEU . 27.1 m -118.01 165.19 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.698 HG22 HG22 ' A' ' 71' ' ' VAL . 89.9 t -144.46 106.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.514 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.4 mp -83.85 140.54 31.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.0 m -112.49 118.28 34.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.5 t -140.25 105.95 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.449 ' C ' HG12 ' A' ' 15' ' ' VAL . 19.1 tt0 -95.87 160.9 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.493 HD11 ' CG1' ' A' ' 44' ' ' VAL . 33.6 mt -132.13 155.58 47.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.1 t -80.61 4.73 17.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.527 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 26.9 mmt180 -144.51 138.9 15.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.87 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.74 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.527 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.0 p-90 -84.77 30.94 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -95.29 110.8 22.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.065 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HA ' ' NH2' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -83.36 145.87 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.493 ' CG1' HD11 ' A' ' 37' ' ' LEU . 16.9 m -130.24 164.65 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -142.88 123.96 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 55.0 m95 -88.58 130.34 35.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.2 p -122.86 128.01 49.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -102.22 93.53 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 71.53 38.7 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.64 -32.79 5.97 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.436 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -79.29 145.98 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -86.08 118.65 25.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.4 m -56.2 139.28 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 54' ' ' VAL . 14.9 p -118.75 126.35 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -38.6 147.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.31 167.77 4.52 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.655 0.741 . . . . 0.0 110.882 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.9 Cg_endo -69.73 2.38 3.56 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.73 2.287 . . . . 0.0 112.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.09 -8.97 9.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.739 HD21 HD21 ' A' ' 61' ' ' LEU . 8.0 tt -138.82 106.34 5.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.6 mt -98.28 128.51 44.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.739 HD21 HD21 ' A' ' 59' ' ' LEU . 67.8 mt -99.6 108.86 21.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -91.9 146.25 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -137.22 119.67 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.619 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.3 tt0 -96.75 -175.61 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.34 -65.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.87 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.3 p -122.62 0.19 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.619 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.4 p -123.12 140.97 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' NH1' HG22 ' A' ' 44' ' ' VAL . 17.7 mmt85 -107.13 154.88 20.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -146.9 146.66 30.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.722 HD13 HD23 ' A' ' 61' ' ' LEU . 7.8 tp -118.71 111.95 19.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.698 HG22 HG22 ' A' ' 32' ' ' VAL . 99.7 t -108.29 134.77 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.1 mp -117.83 104.49 48.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.3 Cg_endo -69.73 -11.28 30.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.726 2.284 . . . . 0.0 112.35 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.15 105.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 29' ' ' GLU . 1.1 m -100.58 177.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.4 ' N ' HG23 ' A' ' 75' ' ' VAL . 12.7 mp0 -146.86 145.52 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.7 mt -48.76 -31.85 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -69.82 -38.39 76.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -55.27 -35.81 65.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.6 p -44.96 115.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.46 -128.14 0.96 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -130.96 103.08 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.392 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -83.9 108.08 16.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -108.3 115.06 29.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.568 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 42.7 t -95.93 107.2 19.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -102.17 141.13 35.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.599 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -112.07 -57.99 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' H ' HG23 ' A' ' 87' ' ' ILE . 6.9 t0 -134.98 -72.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -119.39 -16.36 8.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.517 ' CD ' ' N ' ' A' ' 90' ' ' GLU . 4.0 mp0 -106.27 168.13 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.1 p -147.19 144.9 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.42 127.05 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.1 t -85.6 128.5 34.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -133.9 100.08 4.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.7 m -79.74 118.08 21.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.5 t -126.41 101.22 7.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 63.7 m -102.87 119.65 39.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.7 t -97.78 150.38 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -141.67 178.79 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -85.29 133.25 42.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.59 18.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -178.85 2.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.507 HG13 ' O ' ' A' ' 103' ' ' VAL . 11.9 p -107.96 120.47 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -141.84 107.09 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.563 ' O ' HG22 ' A' ' 105' ' ' ILE . 10.6 mt 49.53 50.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 93.4 mt -118.67 99.04 7.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -58.24 141.68 49.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.1 m -83.3 82.57 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.812 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.52 92.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.12 35.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.732 2.288 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.1 m -134.75 106.83 7.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.6 t -71.42 80.89 0.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.725 ' HB3' HD13 ' A' ' 87' ' ' ILE . 68.3 m95 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.767 0.318 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.1 mt -74.45 94.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.4 p -74.05 -28.65 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -163.79 145.26 7.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.732 0.777 . . . . 0.0 110.898 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.0 Cg_endo -69.74 169.41 63.39 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.342 -0.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.4 t -104.57 64.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.11 -154.13 24.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -87.27 144.9 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.8 t -132.92 134.2 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -104.54 132.46 50.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.5 t -135.18 128.33 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.72 122.28 46.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.526 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -121.83 172.54 8.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -127.92 154.03 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -44.21 118.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.3 mt 65.76 38.63 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 26.2 tp10 -100.56 157.92 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -100.24 105.94 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.526 HG11 ' HB2' ' A' ' 25' ' ' ALA . 32.9 m -105.65 161.08 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 71' ' ' VAL . 94.2 t -141.77 106.59 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.722 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.1 mp -82.42 137.98 34.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.491 HG22 ' CE1' ' A' ' 16' ' ' TYR . 21.4 m -109.77 112.71 24.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -139.32 105.12 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' O ' HD23 ' A' ' 37' ' ' LEU . 9.6 tt0 -95.83 164.38 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.81 HD11 ' CG1' ' A' ' 44' ' ' VAL . 25.5 mt -135.63 159.32 41.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -86.42 10.07 16.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.605 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 61.6 mmt-85 -146.7 135.63 11.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 41' ' ' TRP . 53.8 Cg_endo -69.74 -49.66 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.499 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 1.5 p-90 -81.52 16.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -81.18 110.21 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -83.77 135.18 34.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.81 ' CG1' HD11 ' A' ' 37' ' ' LEU . 15.6 m -116.92 166.01 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -146.36 126.27 13.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.722 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 61.4 m95 -90.49 133.98 34.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.6 p -123.47 132.4 53.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.472 ' HD2' ' CZ ' ' A' ' 83' ' ' TYR . 14.9 tttm -113.85 106.41 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 66.96 45.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.62 -30.91 3.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' LYS . 4.1 mm-40 -84.49 161.88 20.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.72 135.91 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.402 HG21 ' HB2' ' A' ' 46' ' ' TRP . 7.0 m -67.09 140.34 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 p -117.85 131.23 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -46.65 146.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -169.14 167.63 5.52 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.709 0.766 . . . . 0.0 110.83 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.6 Cg_endo -69.76 4.03 2.43 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.38 -7.87 9.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.638 HD21 HD21 ' A' ' 61' ' ' LEU . 7.5 tt -140.32 108.19 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.3 mt -101.22 126.41 47.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.688 HD23 HD13 ' A' ' 70' ' ' LEU . 77.8 mt -95.48 110.72 22.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -93.46 143.81 25.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -136.0 119.73 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.667 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.4 tt0 -97.02 -175.07 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -49.93 -68.74 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 p -118.76 2.43 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.667 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -126.08 142.52 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.0 mmt-85 -110.37 156.06 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -149.17 147.47 28.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.688 HD13 HD23 ' A' ' 61' ' ' LEU . 7.1 tp -115.66 107.63 15.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 32' ' ' VAL . 92.7 t -102.12 138.23 27.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.419 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -123.55 107.21 31.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.565 0.698 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.75 -9.84 27.09 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.72 107.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -101.85 170.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -140.32 148.99 42.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.543 HD23 HG12 ' A' ' 98' ' ' VAL . 41.5 mt -48.69 -29.97 5.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -69.91 -36.74 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -57.72 -34.17 69.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.406 ' CB ' ' H ' ' A' ' 98' ' ' VAL . 63.5 p -51.14 116.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.82 -124.71 0.76 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -131.33 104.52 7.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.377 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.472 ' CZ ' ' HD2' ' A' ' 48' ' ' LYS . 27.7 m-85 -89.01 109.37 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.62 111.9 23.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 42.4 t -89.22 107.14 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -102.38 137.89 40.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.725 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.82 -59.2 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -135.02 -72.42 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -120.06 -11.2 9.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' A' ' 90' ' ' GLU . 4.5 mp0 -111.76 168.88 9.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.9 p -147.18 146.73 29.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -103.53 133.04 49.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.2 t -86.14 123.13 31.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -131.93 99.86 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.1 m -83.35 119.22 24.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.8 t -125.1 92.99 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.6 m -91.38 122.43 33.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.543 HG12 HD23 ' A' ' 77' ' ' LEU . 61.2 t -106.29 133.35 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.3 p -128.3 174.79 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -74.73 134.18 75.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.662 0.744 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 168.67 20.89 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.262 . . . . 0.0 112.377 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.76 ' HB3' HD13 ' A' ' 87' ' ' ILE . 58.8 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.695 0.283 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.5 mt -71.8 97.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.464 HG12 ' C ' ' A' ' 36' ' ' GLU . 9.3 p -73.91 -27.36 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -166.07 145.42 5.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.654 0.74 . . . . 0.0 110.966 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.4 Cg_endo -69.76 166.5 73.9 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.397 -0.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -104.99 64.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.0 -159.61 27.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -83.68 143.4 30.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -134.02 136.67 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -105.38 140.57 38.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -144.07 122.29 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.48 124.24 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.526 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -122.87 176.71 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.9 t -130.72 155.05 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -45.4 117.83 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt 65.61 39.28 5.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.465 ' H ' HG22 ' A' ' 75' ' ' VAL . 32.9 tp10 -99.68 157.62 16.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -97.48 105.99 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.425 ' CG2' HD13 ' A' ' 72' ' ' LEU . 16.6 m -106.86 157.76 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.794 HG22 HG22 ' A' ' 71' ' ' VAL . 98.7 t -140.22 107.17 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.468 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 4.2 mp -84.08 139.05 32.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.6 m -110.79 113.57 26.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.85 106.89 6.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.464 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.6 tt0 -95.96 159.59 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.544 HD11 ' CG1' ' A' ' 44' ' ' VAL . 44.3 mt -129.69 161.49 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.453 ' O ' ' NH1' ' A' ' 39' ' ' ARG . 5.4 t -87.15 10.44 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.66 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 49.9 mmt-85 -148.45 140.26 14.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.718 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.514 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.2 Cg_endo -69.76 -51.72 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.281 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.583 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 5.5 p-90 -84.33 23.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.66 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -82.72 109.88 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -85.19 135.08 34.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.587 HG12 ' HB ' ' A' ' 87' ' ' ILE . 28.2 m -120.46 173.74 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -150.92 126.37 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.468 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 56.8 m95 -90.39 142.46 27.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.429 HG22 ' HA ' ' A' ' 52' ' ' GLU . 40.7 p -135.16 127.21 29.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -100.79 100.54 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 64.73 37.01 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.64 -31.23 7.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -80.09 122.93 27.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' HA ' HG22 ' A' ' 47' ' ' THR . 49.6 tt0 -65.44 115.92 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.51 139.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 54' ' ' VAL . 14.4 p -118.9 128.55 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.3 mt-10 -38.44 147.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.447 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.23 167.59 4.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.4 Cg_endo -69.7 3.11 2.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.8 -7.36 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 61' ' ' LEU . 8.0 tt -140.44 105.17 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 70' ' ' LEU . 75.1 mt -98.79 129.21 45.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.788 HD23 HD13 ' A' ' 70' ' ' LEU . 75.7 mt -100.05 110.46 22.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -92.32 147.36 22.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -139.22 120.46 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.665 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.0 tt0 -99.54 -174.73 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.06 -71.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 40' ' ' PRO . 5.5 p -115.69 2.39 13.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.665 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -126.8 145.93 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -115.09 156.11 25.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.405 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 44.3 mtm180 -147.15 149.48 33.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.788 HD13 HD23 ' A' ' 61' ' ' LEU . 7.4 tp -118.98 102.29 8.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.794 HG22 HG22 ' A' ' 32' ' ' VAL . 77.9 t -99.03 138.65 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.459 HD12 ' C ' ' A' ' 71' ' ' VAL . 6.8 mp -122.5 110.99 31.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.3 Cg_endo -69.76 -11.23 30.41 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.96 110.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.465 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.5 m -103.9 169.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -139.71 145.6 38.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.554 HD23 HG12 ' A' ' 98' ' ' VAL . 48.4 mt -45.21 -34.66 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -38.18 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -54.91 -33.85 62.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.0 p -53.21 121.24 7.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -172.34 -119.84 0.54 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -133.59 100.42 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -84.51 105.83 15.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.14 120.06 41.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -97.91 107.52 20.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -99.43 136.81 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.76 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -112.85 -76.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.612 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 3.4 t0 -113.06 -71.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.05 -16.6 6.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -106.48 169.75 8.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.9 p -144.97 149.35 35.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.82 134.54 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.9 t -90.31 126.52 35.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -134.69 99.9 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.7 m -81.64 120.97 25.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.14 93.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 m -92.68 118.05 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.554 HG12 HD23 ' A' ' 77' ' ' LEU . 59.7 t -102.41 143.99 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.9 p -136.69 174.82 10.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -75.39 135.35 72.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.629 0.728 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 164.66 33.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.778 ' HB3' HD13 ' A' ' 87' ' ' ILE . 73.0 m95 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.701 0.286 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.411 HG21 ' HB2' ' A' ' 92' ' ' ALA . 19.4 mt -64.86 92.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.529 HG12 ' C ' ' A' ' 36' ' ' GLU . 8.7 p -70.84 -28.95 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.581 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -165.31 145.73 5.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 0.0 110.912 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.701 ' HG3' HG21 ' A' ' 21' ' ' VAL . 53.2 Cg_endo -69.81 164.33 79.65 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.317 -0.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -106.79 65.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.31 -152.63 24.74 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -83.72 146.86 27.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.701 HG21 ' HG3' ' A' ' 17' ' ' PRO . 97.5 t -134.9 124.11 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -100.89 137.62 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.9 t -144.04 127.89 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.91 129.6 53.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -131.69 176.62 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.436 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.5 t -132.65 156.13 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -44.4 117.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt 66.65 36.49 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.444 ' H ' HG22 ' A' ' 75' ' ' VAL . 17.8 tp10 -95.49 158.65 15.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -100.44 99.06 9.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.474 HG11 ' HB2' ' A' ' 25' ' ' ALA . 22.5 m -99.36 159.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.745 HG22 HG22 ' A' ' 71' ' ' VAL . 99.2 t -140.48 108.38 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.408 HD22 HD23 ' A' ' 70' ' ' LEU . 5.4 mp -88.25 140.84 29.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.1 m -114.19 123.47 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.46 ' C ' HG23 ' A' ' 67' ' ' VAL . 2.6 t -142.74 112.07 6.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.529 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.7 tt0 -96.12 158.8 15.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 36' ' ' GLU . 58.1 mt -130.2 154.02 47.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -70.27 -18.15 63.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -133.51 145.42 56.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.646 0.736 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.707 ' HA ' HG22 ' A' ' 66' ' ' THR . 54.4 Cg_endo -69.7 -51.32 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.382 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.479 ' CD1' ' HG2' ' A' ' 40' ' ' PRO . 2.0 p-90 -81.96 40.81 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.81 115.24 28.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -80.91 132.34 35.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.593 HG12 ' HB ' ' A' ' 87' ' ' ILE . 14.1 m -126.77 171.98 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -152.69 128.72 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' O ' HG22 ' A' ' 53' ' ' VAL . 65.4 m95 -88.98 137.85 31.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.3 p -130.43 127.51 39.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -101.79 103.9 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 63.02 36.2 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.46 -33.01 6.15 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -77.03 148.75 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -89.31 110.42 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 46' ' ' TRP . 28.3 m -55.08 141.06 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.53 137.04 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -42.3 149.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.44 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -171.15 166.35 4.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.88 -179.781 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 53.4 Cg_endo -69.79 5.01 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.31 -10.91 7.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.752 HD21 HD21 ' A' ' 61' ' ' LEU . 7.0 tt -135.04 101.55 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.9 mt -94.67 127.25 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.752 HD21 HD21 ' A' ' 59' ' ' LEU . 79.8 mt -98.51 112.54 24.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -96.57 161.87 13.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -150.0 113.28 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.678 ' HB3' HG13 ' A' ' 67' ' ' VAL . 1.8 tp10 -92.22 -179.98 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -40.74 -68.25 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.707 HG22 ' HA ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -125.39 6.51 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.678 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -127.08 123.46 62.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.1 mmt-85 -86.82 147.69 25.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.428 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 24.4 mtm180 -135.48 145.74 47.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.608 HD13 HD23 ' A' ' 61' ' ' LEU . 5.7 tp -120.67 98.1 5.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.745 HG22 HG22 ' A' ' 32' ' ' VAL . 70.9 t -95.56 137.4 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.426 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -122.5 106.39 35.21 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.0 Cg_endo -69.76 -10.01 27.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.89 105.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.444 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.7 m -103.18 171.93 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -139.13 150.16 45.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.584 HD23 HG12 ' A' ' 98' ' ' VAL . 52.0 mt -50.63 -37.55 41.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -67.36 -36.32 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -56.98 -35.94 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.459 ' HB3' HG23 ' A' ' 98' ' ' VAL . 70.3 p -52.96 120.84 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.7 -123.58 0.7 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -127.82 101.36 6.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -84.35 102.87 13.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -102.58 115.58 30.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.509 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 43.4 t -97.2 107.62 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.9 139.7 35.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.778 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -113.74 -57.07 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.483 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 3.6 t0 -134.98 -72.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -118.97 -25.62 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -100.18 169.2 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.9 p -145.31 147.0 31.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.411 ' HB2' HG21 ' A' ' 14' ' ' ILE . . . -103.68 125.39 50.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.083 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.8 t -85.88 130.03 34.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -134.86 101.37 4.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.8 m -79.96 119.97 23.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.1 t -124.39 92.72 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.4 m -89.32 121.8 31.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.584 HG12 HD23 ' A' ' 77' ' ' LEU . 44.4 t -105.88 148.34 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.5 p -139.96 -177.71 5.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -84.49 133.87 43.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.35 24.73 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.8 ' HB3' HD13 ' A' ' 87' ' ' ILE . 61.8 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.756 0.312 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.9 mt -69.05 101.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.467 HG12 ' C ' ' A' ' 36' ' ' GLU . 12.2 p -77.16 -27.12 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -164.38 146.67 7.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.709 0.766 . . . . 0.0 110.894 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.1 Cg_endo -69.72 168.44 67.3 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.351 -0.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -102.67 63.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.13 -153.36 24.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -86.81 147.2 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.498 HG21 ' HG3' ' A' ' 17' ' ' PRO . 91.3 t -133.44 126.59 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -98.42 133.59 42.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -136.07 137.95 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.97 131.8 56.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.17 171.77 13.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.1 t -125.75 160.4 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -48.69 118.63 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 mt 68.78 34.4 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 10.9 tp10 -98.59 159.66 14.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.96 122.45 45.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.5 m -118.48 165.08 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.667 HG22 HG22 ' A' ' 71' ' ' VAL . 84.7 t -144.24 106.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.508 HD22 HD23 ' A' ' 70' ' ' LEU . 5.0 mp -83.71 139.85 32.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.479 HG22 ' CE1' ' A' ' 16' ' ' TYR . 23.1 m -112.04 117.67 33.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.463 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.9 t -142.65 105.67 4.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.4 tt0 -95.89 161.75 13.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.912 HD11 ' CG1' ' A' ' 44' ' ' VAL . 33.7 mt -132.03 155.76 47.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.6 p -81.59 9.24 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.533 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 9.1 mmp_? -145.07 136.22 12.49 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.874 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.82 -50.17 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.425 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 2.5 p-90 -82.31 19.07 1.27 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -84.38 119.57 25.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -90.25 145.5 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.912 ' CG1' HD11 ' A' ' 37' ' ' LEU . 11.2 m -126.02 166.69 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -149.44 126.03 10.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.496 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 53.5 m95 -90.94 133.22 35.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.5 p -120.32 132.84 55.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -112.69 102.06 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 72.28 40.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.99 -32.06 5.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -84.99 161.24 19.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.06 136.25 33.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 46' ' ' TRP . 10.4 m -66.2 142.04 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.97 129.1 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -46.0 146.44 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -168.57 167.67 6.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.691 0.758 . . . . 0.0 110.838 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.6 Cg_endo -69.71 1.49 4.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.03 -12.27 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.807 HD21 HD21 ' A' ' 61' ' ' LEU . 8.0 tt -134.4 102.98 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.426 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 65.8 mt -96.5 125.89 41.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.807 HD21 HD21 ' A' ' 59' ' ' LEU . 81.9 mt -98.07 109.71 22.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' ARG . 58.4 mm-40 -92.98 146.81 23.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.493 ' HG2' ' CZ ' ' A' ' 68' ' ' ARG . 20.6 mttt -135.82 112.68 10.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.687 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.1 tt0 -87.09 -175.02 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.874 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.1 p -120.24 3.04 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.687 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -126.91 143.73 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.493 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 5.2 mmm180 -105.19 156.07 18.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 62' ' ' GLN . 34.3 mtm180 -149.1 142.88 25.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.785 HD13 HD23 ' A' ' 61' ' ' LEU . 6.8 tp -117.77 110.56 17.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.667 HG22 HG22 ' A' ' 32' ' ' VAL . 88.9 t -106.3 136.83 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.415 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.3 mp -118.44 102.19 50.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.426 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 53.4 Cg_endo -69.78 -9.42 26.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.34 105.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 29' ' ' GLU . 1.3 m -104.83 168.75 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -144.9 144.89 31.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.579 HD23 HG12 ' A' ' 98' ' ' VAL . 53.7 mt -44.01 -29.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.75 -38.7 73.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.81 -36.02 66.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.8 p -45.42 116.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -168.84 -139.14 2.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -119.89 102.02 8.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.895 0.379 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -85.27 109.53 18.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -110.17 113.94 27.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 6.2 t -88.04 107.4 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -101.91 134.16 45.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.8 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.64 -61.09 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.151 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.438 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 1.7 t70 -133.93 -71.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -119.29 -20.85 7.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -103.47 168.96 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.3 p -145.93 147.53 31.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.66 131.73 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 t -85.86 124.42 32.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -132.77 99.97 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.1 m -83.17 126.82 33.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.3 t -134.11 107.51 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.7 m -104.59 118.5 36.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.579 HG12 HD23 ' A' ' 77' ' ' LEU . 97.1 t -100.94 146.35 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.4 p -143.68 172.96 12.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.18 137.02 68.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.694 0.759 . . . . 0.0 110.815 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.91 36.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.358 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.444 ' HB3' HG21 ' A' ' 87' ' ' ILE . 55.2 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.751 0.31 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.8 mt -73.03 97.96 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 36' ' ' GLU . 14.1 p -74.15 -27.6 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -166.07 145.73 5.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.666 0.746 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.7 166.06 74.87 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.353 -0.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -104.89 65.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.01 -148.5 20.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -93.54 145.73 24.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.09 145.42 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -113.78 138.77 49.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 t -143.99 143.49 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.24 138.03 51.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.62 169.02 18.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.435 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.6 t -132.99 160.49 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -45.86 112.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt 67.41 43.54 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 11.6 tp10 -98.9 161.93 13.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -106.25 100.69 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.527 ' CG2' HD13 ' A' ' 72' ' ' LEU . 21.9 m -98.19 159.08 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.606 HG22 HG22 ' A' ' 71' ' ' VAL . 89.3 t -141.21 105.35 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.559 HD22 HD23 ' A' ' 70' ' ' LEU . 4.9 mp -84.73 139.3 32.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.9 m -110.34 118.83 37.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.96 105.76 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' O ' HG12 ' A' ' 15' ' ' VAL . 8.4 tt0 -95.88 158.07 15.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.41 HD11 HG13 ' A' ' 44' ' ' VAL . 50.3 mt -127.87 158.85 36.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 t -83.06 6.45 18.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.571 ' HD3' ' CZ2' ' A' ' 41' ' ' TRP . 1.5 mmp_? -149.17 141.61 15.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.571 0.7 . . . . 0.0 110.875 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.645 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.4 Cg_endo -69.79 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.571 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 2.4 p-90 -82.71 33.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -95.61 110.06 22.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.19 140.31 31.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.799 HG12 ' HB ' ' A' ' 87' ' ' ILE . 28.3 m -127.56 167.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -142.88 122.38 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 61.0 m95 -86.63 134.67 33.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.3 p -127.42 127.83 44.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -99.84 93.95 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t0 72.57 36.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.48 -31.78 7.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -80.05 142.64 34.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -81.79 116.32 21.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 m -59.6 133.94 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -110.88 132.16 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -42.88 148.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.93 167.77 3.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.78 2.99 3.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.95 -14.01 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 59' ' ' LEU . 7.4 tt -134.64 100.48 4.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 57.8 mt -93.31 127.43 38.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.672 HD23 HD13 ' A' ' 70' ' ' LEU . 87.7 mt -97.12 112.05 24.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' ARG . 50.0 mm-40 -95.63 145.47 25.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HG3' ' NH1' ' A' ' 68' ' ' ARG . 7.9 mptt -136.57 125.55 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.585 ' HB3' HG13 ' A' ' 67' ' ' VAL . 3.0 tp10 -100.49 -176.76 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.39 -63.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.645 HG22 ' HA ' ' A' ' 40' ' ' PRO . 3.0 p -124.76 -2.08 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.585 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -120.53 137.78 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' NH1' ' HG3' ' A' ' 63' ' ' LYS . 4.4 mmm180 -99.86 156.09 17.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' GLN . 20.5 mtm180 -147.51 143.87 28.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.672 HD13 HD23 ' A' ' 61' ' ' LEU . 7.8 tp -116.43 111.84 20.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.606 HG22 HG22 ' A' ' 32' ' ' VAL . 86.0 t -108.24 134.23 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.527 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.0 mp -118.07 103.79 49.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.416 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.78 -12.67 33.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.45 105.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.89 170.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -136.93 149.83 47.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.8 mt -52.17 -37.94 56.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.67 -37.1 85.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.03 -34.35 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.8 p -42.28 120.32 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.56 -136.1 2.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -124.73 127.01 46.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -103.21 105.7 16.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.69 111.12 23.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.527 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 42.3 t -94.24 106.83 18.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -104.22 136.55 43.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.799 ' HB ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -106.14 -55.02 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -135.02 -72.55 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -119.6 -17.82 8.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -106.47 167.72 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.5 p -146.76 148.6 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.27 133.27 48.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.5 t -87.58 126.97 35.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -134.16 99.98 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.7 m -81.22 123.21 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.4 t -130.56 105.16 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 88.3 m -102.83 119.88 39.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 99' ' ' THR . 53.2 t -95.51 152.67 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.401 ' N ' HG12 ' A' ' 98' ' ' VAL . 22.2 p -147.53 174.02 12.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -81.27 134.39 52.06 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.662 0.744 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 165.45 30.92 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.521 ' HB3' HD13 ' A' ' 87' ' ' ILE . 43.0 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.759 0.314 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mt -77.37 93.59 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.511 HG12 ' C ' ' A' ' 36' ' ' GLU . 9.5 p -71.58 -19.73 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -173.23 145.37 1.23 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.691 0.758 . . . . 0.0 110.888 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.7 Cg_endo -69.76 169.6 62.57 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.305 -0.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.2 p -105.97 64.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.54 -140.19 9.39 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -100.88 143.48 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -133.75 127.58 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -97.68 139.77 33.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.4 t -141.07 137.47 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.54 140.15 45.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.722 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -134.99 174.44 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.465 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.6 t -135.93 160.8 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -45.33 110.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 mt 68.38 44.38 1.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.465 ' CB ' ' H ' ' A' ' 26' ' ' VAL . 4.3 tp10 -97.35 158.08 15.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 1.2 tmt_? -104.39 94.58 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -91.98 161.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 71' ' ' VAL . 91.1 t -141.78 105.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.555 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.0 mp -80.37 138.71 36.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -112.98 113.07 24.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 t -138.52 105.76 5.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.511 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.5 tt0 -95.84 156.55 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.592 HD11 ' CG1' ' A' ' 44' ' ' VAL . 30.4 mt -127.84 164.14 22.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.3 p -88.28 10.58 19.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.594 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.4 mmt180 -150.81 138.68 12.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.536 ' CA ' HG22 ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.69 -50.02 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.752 2.301 . . . . 0.0 112.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.594 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.6 p-90 -83.18 29.44 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -90.24 109.76 20.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.052 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -82.54 133.61 35.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.592 ' CG1' HD11 ' A' ' 37' ' ' LEU . 17.3 m -122.18 169.09 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -146.22 126.31 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 61.2 m95 -90.49 135.29 33.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.7 p -122.01 127.35 50.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 53' ' ' VAL . 8.3 tmtt? -108.38 100.81 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.0 t70 71.27 35.8 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.83 -30.79 7.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -84.15 155.54 22.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -91.79 111.19 22.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 46' ' ' TRP . 17.9 m -51.25 137.99 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 p -113.43 134.81 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -44.09 147.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.454 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.48 167.99 4.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.71 0.767 . . . . 0.0 110.835 -179.752 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.5 Cg_endo -69.8 1.42 4.48 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.262 . . . . 0.0 112.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.68 -12.7 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.749 HD21 HD21 ' A' ' 61' ' ' LEU . 8.3 tt -135.02 103.66 5.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.0 mt -95.47 129.46 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.755 HD23 HD13 ' A' ' 70' ' ' LEU . 85.2 mt -102.38 108.03 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -92.12 146.78 23.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' HG2' ' CZ ' ' A' ' 68' ' ' ARG . 27.7 mtmt -138.8 113.24 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.618 ' CB ' HG13 ' A' ' 67' ' ' VAL . 3.5 tp10 -87.52 -174.59 4.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -60.01 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.536 HG22 ' CA ' ' A' ' 40' ' ' PRO . 21.6 p -126.4 -1.26 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.618 HG13 ' CB ' ' A' ' 64' ' ' GLU . 1.5 p -121.96 139.24 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.465 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 4.7 mmm180 -105.69 156.22 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -149.83 141.0 23.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.755 HD13 HD23 ' A' ' 61' ' ' LEU . 8.0 tp -112.03 103.8 12.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 32' ' ' VAL . 79.1 t -99.38 136.66 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD11 ' HG ' ' A' ' 70' ' ' LEU . 6.8 mp -122.41 105.31 36.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.9 Cg_endo -69.71 -12.9 33.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.369 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.78 108.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -106.68 175.0 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -142.72 145.66 33.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.519 HD23 HG12 ' A' ' 98' ' ' VAL . 65.2 mt -47.42 -40.06 17.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -62.35 -39.53 93.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -55.98 -32.04 63.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.402 ' CB ' ' H ' ' A' ' 98' ' ' VAL . 54.0 p -47.86 121.68 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -179.05 -127.13 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -125.88 139.01 53.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -119.54 105.14 10.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.57 112.12 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.573 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 51.8 t -94.03 107.05 19.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -101.39 137.08 40.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.56 ' HB ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -109.12 -57.16 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -135.04 -72.95 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -120.25 -11.7 9.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -113.7 166.49 11.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.4 p -143.99 148.58 35.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.61 134.56 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 t -87.41 124.95 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -134.19 99.92 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.4 m -81.58 126.02 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.0 t -130.27 106.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 92.5 m -109.67 118.37 36.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.722 HG22 ' HB3' ' A' ' 25' ' ' ALA . 67.2 t -97.81 146.61 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.2 p -138.59 176.56 8.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -78.87 135.54 59.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 168.19 22.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.4 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.558 ' CE3' HD11 ' A' ' 87' ' ' ILE . 47.3 m95 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.712 0.291 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.464 ' CD1' ' C ' ' A' ' 91' ' ' SER . 26.4 mt -74.4 95.57 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.427 HG12 ' C ' ' A' ' 36' ' ' GLU . 14.9 p -72.63 -32.33 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.583 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -158.7 146.03 13.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.684 0.754 . . . . 0.0 110.892 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.0 Cg_endo -69.78 170.48 58.34 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.325 -0.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -103.51 63.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.09 -140.07 9.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -99.12 145.38 27.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.0 t -134.22 122.09 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -94.18 132.95 38.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.6 t -135.4 127.7 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.7 135.6 44.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.624 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -134.61 173.55 11.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.8 t -129.08 155.92 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -44.89 117.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.6 mt 66.97 35.99 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.508 ' H ' HG22 ' A' ' 75' ' ' VAL . 18.9 tp10 -95.52 158.97 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.45 102.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.624 HG11 ' HB2' ' A' ' 25' ' ' ALA . 33.4 m -104.34 163.11 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.932 HG22 HG22 ' A' ' 71' ' ' VAL . 83.6 t -141.72 110.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.646 HD22 HD23 ' A' ' 70' ' ' LEU . 5.5 mp -86.34 141.35 29.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.6 m -112.82 118.13 34.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.6 t -139.67 106.99 5.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.439 ' O ' HD23 ' A' ' 37' ' ' LEU . 9.1 tt0 -95.97 162.01 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.914 HD11 ' CG1' ' A' ' 44' ' ' VAL . 58.7 mt -133.84 155.4 49.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.6 p -80.64 4.13 19.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.593 ' HD3' ' CZ2' ' A' ' 41' ' ' TRP . 1.8 mmp_? -143.64 137.29 14.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.6 0.714 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.917 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.73 -48.86 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.593 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 3.3 p-90 -83.9 27.05 0.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.53 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -90.85 110.01 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -80.86 136.13 36.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.914 ' CG1' HD11 ' A' ' 37' ' ' LEU . 5.0 m -120.63 166.65 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.3 ttm-85 -147.87 126.94 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 46.3 m95 -90.44 138.71 31.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.424 HG22 ' HA ' ' A' ' 52' ' ' GLU . 52.5 p -133.15 132.99 42.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' GLU . 13.2 tttt -102.88 105.56 15.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.22 46.48 10.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.66 -33.07 4.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 48' ' ' LYS . 17.6 mt-10 -78.05 153.02 32.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HA ' HG22 ' A' ' 47' ' ' THR . 13.4 tt0 -93.7 116.24 28.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 46' ' ' TRP . 17.2 m -59.79 138.14 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -113.75 139.79 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -49.0 148.0 2.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.447 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.31 167.66 3.83 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.655 0.741 . . . . 0.0 110.85 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.77 3.51 2.74 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.03 -5.95 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 61' ' ' LEU . 8.4 tt -141.94 105.14 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.6 mt -99.03 127.24 44.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 59' ' ' LEU . 80.6 mt -96.55 110.92 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' ARG . 59.8 mm-40 -92.82 147.55 22.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -143.13 116.96 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -93.61 -174.59 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.8 -64.71 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.917 HG22 ' HA ' ' A' ' 40' ' ' PRO . 2.3 p -123.21 -7.67 8.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -114.82 132.18 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.3 mmt-85 -99.58 154.54 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.475 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 34.4 mtm180 -144.19 151.49 39.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.646 HD23 HD22 ' A' ' 33' ' ' LEU . 6.0 tp -121.02 103.39 9.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.932 HG22 HG22 ' A' ' 32' ' ' VAL . 78.6 t -101.13 137.14 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.1 mp -120.46 108.94 37.07 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -11.97 31.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.67 107.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.508 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.6 m -103.74 169.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 79' ' ' ASP . 21.1 mm-40 -141.05 147.07 38.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.7 mt -44.6 -33.78 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -67.58 -36.82 81.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 76' ' ' GLN . 5.1 m-20 -55.55 -30.44 60.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.6 p -55.21 121.07 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.56 -123.17 0.78 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -131.88 116.11 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -101.51 108.42 19.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -106.31 120.38 41.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.9 t -100.21 107.17 18.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.72 140.1 34.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.558 HD11 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -111.97 -58.31 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -135.02 -73.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.39 -11.94 9.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 13' ' ' TRP . 2.9 pt-20 -115.76 168.21 10.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.464 ' C ' ' CD1' ' A' ' 14' ' ' ILE . 60.0 p -144.5 151.79 39.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.3 137.15 41.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.06 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.2 t -89.69 122.95 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -133.4 99.86 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.2 m -82.33 125.42 30.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.7 t -125.67 97.57 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.9 m -97.34 114.52 26.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.462 HG22 ' HB3' ' A' ' 25' ' ' ALA . 40.9 t -100.52 147.19 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 p -140.16 177.7 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.11 136.92 53.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.3 50.2 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.589 ' HB3' HD13 ' A' ' 87' ' ' ILE . 59.9 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.728 0.299 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.0 mt -73.86 89.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.686 HG12 ' C ' ' A' ' 36' ' ' GLU . 5.5 p -68.68 -22.32 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.614 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -172.5 146.23 1.55 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.679 0.752 . . . . 0.0 110.975 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.752 ' HG3' HG21 ' A' ' 21' ' ' VAL . 53.7 Cg_endo -69.76 169.19 64.52 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.331 -0.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 m -104.44 64.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.64 -139.14 8.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -98.66 146.88 25.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.837 0.351 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.752 HG21 ' HG3' ' A' ' 17' ' ' PRO . 96.8 t -134.3 113.1 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.0 132.16 38.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.57 138.0 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.37 117.73 31.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -118.39 176.44 5.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 t -130.05 158.89 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -48.48 116.26 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt 69.41 37.1 2.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' H ' HG22 ' A' ' 75' ' ' VAL . 18.1 tp10 -98.8 157.24 16.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.458 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 1.9 tmt_? -101.31 108.83 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.488 HG11 ' HB2' ' A' ' 25' ' ' ALA . 17.7 m -110.14 159.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.829 HG22 HG22 ' A' ' 71' ' ' VAL . 95.1 t -140.05 105.54 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.625 HD22 HD23 ' A' ' 70' ' ' LEU . 4.5 mp -79.64 140.93 36.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 m -113.9 115.22 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.421 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.7 t -138.4 106.02 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.686 ' C ' HG12 ' A' ' 15' ' ' VAL . 10.7 tt0 -95.7 152.04 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.576 HD21 HG11 ' A' ' 44' ' ' VAL . 44.2 mt -119.99 171.38 8.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.408 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 27.2 p -94.81 14.25 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 1.016 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 27.8 mmm180 -151.37 147.99 21.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.787 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.7 Cg_endo -69.78 -51.72 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 -87.42 17.47 4.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 1.016 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -72.11 109.7 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -85.21 153.97 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.576 HG11 HD21 ' A' ' 37' ' ' LEU . 23.6 m -139.36 170.29 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -144.04 125.79 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.466 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 48.4 m95 -92.62 134.4 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.6 p -127.77 139.96 52.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -110.17 94.29 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 t70 74.23 28.31 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.84 -33.1 6.75 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -78.9 151.67 31.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -91.66 120.63 32.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -63.35 141.88 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' GLU . 13.3 p -117.42 128.83 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.7 mt-10 -37.84 146.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.464 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.15 168.42 4.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.881 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.74 3.44 2.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.4 -3.13 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 59' ' ' LEU . 6.8 tt -145.13 105.12 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 70' ' ' LEU . 78.0 mt -98.06 133.3 42.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.599 HD23 HD13 ' A' ' 70' ' ' LEU . 64.7 mt -104.25 111.04 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -95.91 146.32 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -138.46 112.04 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.709 ' HB3' HG13 ' A' ' 67' ' ' VAL . 3.6 tt0 -86.64 -174.74 5.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -70.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.787 HG22 ' HA ' ' A' ' 40' ' ' PRO . 2.4 p -114.26 1.78 14.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.709 HG13 ' HB3' ' A' ' 64' ' ' GLU . 1.8 p -127.31 146.37 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.4 mmt-85 -111.62 155.8 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -147.24 150.27 34.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.625 HD23 HD22 ' A' ' 33' ' ' LEU . 5.4 tp -122.64 105.38 10.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.829 HG22 HG22 ' A' ' 32' ' ' VAL . 75.5 t -98.85 141.45 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.433 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.2 mp -124.24 106.47 30.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.587 0.708 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.78 -13.63 34.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.36 107.56 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.46 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.4 m -105.02 163.0 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -136.0 146.29 47.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.725 HD23 HG12 ' A' ' 98' ' ' VAL . 40.9 mt -43.91 -37.77 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -62.26 -38.95 91.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.14 -29.94 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.4 p -54.44 114.75 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.96 -124.63 0.73 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -133.62 104.03 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -85.75 109.89 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.91 113.93 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.466 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 36.2 t -92.92 107.15 19.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -102.97 135.2 45.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.589 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -105.28 -77.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.577 ' H ' HG23 ' A' ' 87' ' ' ILE . 1.5 t70 -116.37 -68.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -126.21 -0.16 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -118.0 169.06 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.6 p -147.36 145.11 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -106.32 135.55 47.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 t -88.64 124.49 34.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -134.81 99.75 4.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.5 m -84.99 125.62 32.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.1 t -128.73 92.4 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.6 m -88.18 126.91 35.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.725 HG12 HD23 ' A' ' 77' ' ' LEU . 75.9 t -108.67 136.0 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 p -127.6 171.45 11.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -74.42 130.04 82.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.672 0.749 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 168.78 20.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.743 2.295 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.372 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.696 ' HB3' HD13 ' A' ' 87' ' ' ILE . 31.7 m95 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.766 0.317 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.7 mt -68.5 91.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.522 HG12 ' C ' ' A' ' 36' ' ' GLU . 7.1 p -72.06 -18.24 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.563 ' HA ' ' C ' ' A' ' 17' ' ' PRO . 1.1 t80 -173.85 144.46 1.04 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.667 0.746 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.74 166.2 74.61 Favored 'Cis proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.357 -0.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -100.61 63.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.39 -156.86 26.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -84.49 143.85 29.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.8 t -131.74 136.52 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -106.6 136.08 47.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.7 t -138.22 130.26 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.5 143.25 32.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -142.89 176.6 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.475 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.6 t -134.61 158.12 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -43.88 116.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 mt 64.17 38.94 7.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.475 ' CB ' ' H ' ' A' ' 26' ' ' VAL . 11.1 tp10 -93.51 162.23 14.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -105.23 95.79 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.483 HG11 ' HB2' ' A' ' 25' ' ' ALA . 17.2 m -96.23 157.77 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 71' ' ' VAL . 97.6 t -140.09 110.58 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.654 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.3 mp -86.88 149.38 24.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.0 m -124.8 122.63 37.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.6 t -142.75 109.9 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.522 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.5 tt0 -96.02 154.4 17.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD13 ' HB3' ' A' ' 42' ' ' ALA . 22.3 mt -124.34 154.48 40.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.3 p -70.65 -12.69 61.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -138.16 145.13 46.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.561 0.696 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.862 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.73 -45.97 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 -82.3 34.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HB3' HD13 ' A' ' 37' ' ' LEU . . . -98.26 111.27 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -81.68 141.48 33.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.04 173.85 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -155.03 127.07 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.654 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 66.1 m95 -89.71 137.47 32.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.8 p -131.09 132.55 44.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' GLU . 13.4 tttt -104.34 105.46 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.6 t70 63.7 44.03 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.13 -31.25 5.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 48' ' ' LYS . 13.8 mt-10 -80.56 156.43 26.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -95.5 123.02 38.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 46' ' ' TRP . 19.7 m -62.88 143.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 54' ' ' VAL . 13.8 p -118.91 125.78 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.9 mt-10 -35.69 143.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.457 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -166.73 168.1 7.38 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.647 0.737 . . . . 0.0 110.88 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.457 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.3 Cg_endo -69.81 2.65 3.37 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.236 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.51 -6.33 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 61' ' ' LEU . 8.0 tt -140.85 104.98 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.9 mt -98.82 126.53 44.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 59' ' ' LEU . 67.9 mt -97.07 114.41 26.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -98.79 160.87 13.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -150.34 111.91 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.695 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.3 tp10 -91.8 176.7 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' GLU . 7.8 m-20 -34.84 -73.03 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.862 HG22 ' HA ' ' A' ' 40' ' ' PRO . 0.8 OUTLIER -121.67 7.01 9.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.695 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -127.41 126.07 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 80.5 mmt-85 -92.81 150.17 20.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -139.82 148.37 42.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.529 HD13 HD23 ' A' ' 61' ' ' LEU . 4.1 tp -118.99 101.91 8.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 32' ' ' VAL . 77.9 t -95.98 137.35 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.434 ' HB2' HG22 ' A' ' 31' ' ' VAL . 7.2 mp -121.95 105.77 37.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.595 0.712 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.75 -12.54 33.12 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.33 105.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.19 171.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 79' ' ' ASP . 29.0 mm-40 -139.63 144.5 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.456 HD23 HG12 ' A' ' 98' ' ' VAL . 90.6 mt -43.87 -31.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -33.38 59.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' GLN . 10.2 t0 -57.45 -26.96 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.625 ' HB3' HG23 ' A' ' 98' ' ' VAL . 54.2 p -65.61 120.97 13.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.31 -120.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -131.77 101.3 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -87.45 109.7 19.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -107.44 117.47 34.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.515 ' SG ' ' CE2' ' A' ' 46' ' ' TRP . 5.1 t -98.01 106.82 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -94.73 152.31 18.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.748 HG23 ' H ' ' A' ' 88' ' ' ASP . 1.6 tt -126.39 -63.34 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.748 ' H ' HG23 ' A' ' 87' ' ' ILE . 6.6 t0 -134.19 -72.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -16.31 8.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -108.83 167.68 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.0 p -141.46 146.23 36.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.77 127.04 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -86.77 126.69 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -134.53 99.87 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.3 m -80.3 128.76 33.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.65 101.5 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 96.5 m -97.93 124.32 42.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.625 HG23 ' HB3' ' A' ' 80' ' ' SER . 26.9 t -110.68 135.89 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.5 p -129.59 174.15 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -78.07 136.18 61.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 166.01 29.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.743 2.295 . . . . 0.0 112.306 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.476 ' HB3' HG21 ' A' ' 87' ' ' ILE . 56.5 m95 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.731 0.301 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.6 mt -67.52 94.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.91 -26.33 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -165.12 145.79 6.04 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.669 0.747 . . . . 0.0 110.95 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.6 Cg_endo -69.76 169.57 62.7 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 -0.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 t -106.53 64.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.56 -145.31 14.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -96.01 144.7 26.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -134.58 135.53 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -106.35 138.66 42.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.3 t -140.85 118.85 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.92 132.04 38.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.894 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -128.56 177.07 7.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.404 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.6 t -136.27 157.04 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -43.03 113.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt 66.14 45.15 2.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 3.9 tp10 -100.96 157.54 16.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.467 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.66 101.96 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.4 m -100.11 161.17 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.653 HG22 HG22 ' A' ' 71' ' ' VAL . 94.2 t -140.56 105.08 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.594 HD22 HD23 ' A' ' 70' ' ' LEU . 5.4 mp -81.97 138.82 34.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.1 m -112.1 117.55 32.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.443 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.9 t -140.96 106.92 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.556 ' O ' HD23 ' A' ' 37' ' ' LEU . 10.2 tt0 -95.64 163.59 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 36' ' ' GLU . 57.4 mt -134.92 159.39 41.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 t -86.36 9.25 18.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 47.3 mmt-85 -146.14 138.59 13.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 0.0 110.871 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.827 ' HA ' HG22 ' A' ' 66' ' ' THR . 54.1 Cg_endo -69.66 -49.43 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.8 p-90 -86.69 31.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -92.76 114.92 27.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.67 139.73 30.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.622 HG12 ' HB ' ' A' ' 87' ' ' ILE . 16.3 m -124.3 171.95 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -146.14 125.06 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 60.8 m95 -88.98 133.46 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.2 p -122.55 126.76 48.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HB2' ' CG1' ' A' ' 53' ' ' VAL . 7.1 tmtt? -108.01 98.56 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 t0 74.95 25.03 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.49 -33.62 6.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 6.8 pt-20 -82.75 146.49 28.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.87 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -81.69 110.8 17.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 48' ' ' LYS . 32.2 m -51.62 134.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.3 p -110.59 135.25 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -42.07 150.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.419 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -172.1 166.14 3.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.676 0.751 . . . . 0.0 110.889 -179.787 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.76 4.69 2.05 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.722 2.281 . . . . 0.0 112.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.76 -11.31 7.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.77 HD21 HD21 ' A' ' 61' ' ' LEU . 8.1 tt -134.96 100.27 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.9 mt -91.88 129.55 37.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.77 HD21 HD21 ' A' ' 59' ' ' LEU . 86.2 mt -103.08 110.45 22.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -92.57 148.18 22.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -139.27 111.95 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.681 ' CB ' HG13 ' A' ' 67' ' ' VAL . 1.7 tp10 -86.29 -176.05 5.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -53.55 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.827 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.1 p -119.67 1.59 11.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.681 HG13 ' CB ' ' A' ' 64' ' ' GLU . 2.0 p -126.92 147.8 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.8 mmt-85 -111.14 156.4 21.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 mtm105 -149.15 144.94 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.71 HD13 HD23 ' A' ' 61' ' ' LEU . 7.3 tp -117.4 108.67 15.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.653 HG22 HG22 ' A' ' 32' ' ' VAL . 76.6 t -104.55 134.84 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 7.4 mp -120.68 104.97 41.62 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.648 0.737 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.71 -10.84 29.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.99 106.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.71 173.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -139.8 146.07 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.2 mt -46.71 -28.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -77.99 -37.14 47.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.92 -32.53 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.402 ' CB ' ' H ' ' A' ' 98' ' ' VAL . 52.3 p -59.22 119.46 7.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -168.4 -122.71 0.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -128.2 102.62 6.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -88.16 107.51 18.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -106.55 115.46 30.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.567 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 49.4 t -95.96 107.36 19.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -102.4 138.01 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.622 ' HB ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -109.65 -56.62 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -135.01 -72.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -118.59 -23.93 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 1.2 pm0 -100.64 169.96 8.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 p -146.9 148.49 31.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.58 129.02 50.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -86.07 121.92 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -130.38 100.38 5.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.0 m -80.93 127.29 32.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.23 96.68 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 97.6 m -98.77 114.37 26.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.894 HG22 ' HB3' ' A' ' 25' ' ' ALA . 37.0 t -103.26 141.79 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.8 p -133.08 177.54 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -77.09 134.21 68.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.653 0.739 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 162.66 41.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.9 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.76 ' HB3' HD13 ' A' ' 87' ' ' ILE . 45.6 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.743 0.306 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.401 HG21 ' HB2' ' A' ' 92' ' ' ALA . 12.0 mt -72.51 95.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 36' ' ' GLU . 14.5 p -73.67 -29.8 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -159.51 146.15 12.44 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.722 0.772 . . . . 0.0 110.884 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.705 ' HG3' HG21 ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.74 169.13 64.78 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.337 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.6 m -104.3 64.22 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.77 -138.05 7.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -100.62 146.11 27.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.705 HG21 ' HG3' ' A' ' 17' ' ' PRO . 87.8 t -133.69 113.0 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -94.48 130.53 40.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.22 138.03 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.8 118.93 35.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.567 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -119.39 176.18 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -131.86 157.38 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -46.38 115.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt 68.9 38.34 2.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.501 ' H ' HG22 ' A' ' 75' ' ' VAL . 4.1 tp10 -99.25 157.77 16.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -102.35 105.64 16.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.567 HG11 ' HB2' ' A' ' 25' ' ' ALA . 28.0 m -107.73 159.89 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.888 HG22 HG22 ' A' ' 71' ' ' VAL . 84.0 t -141.22 108.67 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.694 HD22 HD23 ' A' ' 70' ' ' LEU . 4.7 mp -82.48 144.56 30.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -117.2 119.36 34.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.422 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.1 t -142.46 106.51 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 15' ' ' VAL . 13.6 tt0 -95.76 158.72 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.685 HD11 HG13 ' A' ' 44' ' ' VAL . 33.2 mt -128.96 158.24 39.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.4 t -83.41 6.87 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 23.0 mmt180 -144.85 140.61 16.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.847 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.71 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.578 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.3 p-90 -83.34 31.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -92.6 110.44 21.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -88.24 128.8 35.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.685 HG13 HD11 ' A' ' 37' ' ' LEU . 25.1 m -111.36 167.92 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -146.96 124.87 11.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.582 ' O ' HG22 ' A' ' 53' ' ' VAL . 47.2 m95 -89.56 135.3 33.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.6 p -130.28 132.51 45.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 51' ' ' GLU . 10.9 tttt -102.1 104.02 14.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.44 43.63 7.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.19 -32.25 5.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 48' ' ' LYS . 37.4 mm-40 -78.81 152.42 31.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.64 117.76 30.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 46' ' ' TRP . 30.0 m -57.6 144.54 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -116.06 138.71 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.63 146.56 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.484 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -171.01 169.03 3.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.861 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.72 0.42 5.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.69 -14.03 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.722 HD21 HD21 ' A' ' 61' ' ' LEU . 8.3 tt -134.99 101.9 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.5 mt -95.62 129.72 42.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.722 HD21 HD21 ' A' ' 59' ' ' LEU . 79.4 mt -101.47 109.75 21.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -94.04 146.27 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -136.78 112.71 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.689 ' HB3' HG13 ' A' ' 67' ' ' VAL . 2.5 tp10 -87.77 -177.72 5.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -50.09 -67.41 0.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.847 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.2 p -117.89 1.61 12.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.689 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -126.48 147.43 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.3 mmt-85 -110.63 156.08 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -147.0 148.16 31.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.694 HD23 HD22 ' A' ' 33' ' ' LEU . 5.5 tp -121.56 102.18 8.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.888 HG22 HG22 ' A' ' 32' ' ' VAL . 76.2 t -98.29 141.59 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.0 mp -124.72 106.07 29.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.74 -12.0 32.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.302 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.73 108.23 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.501 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.4 m -106.06 167.65 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -141.62 150.52 42.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.1 mt -44.6 -34.83 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.54 -37.57 82.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -28.19 54.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.6 p -58.88 126.85 29.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.84 -132.07 1.68 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -125.78 101.11 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -86.09 110.69 19.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -109.6 118.12 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.3 t -92.96 107.47 19.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -100.72 131.16 46.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.76 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -106.87 -75.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.588 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 2.5 t70 -116.03 -71.29 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.32 -17.64 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -105.19 168.75 8.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.0 p -144.82 149.98 36.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.401 ' HB2' HG21 ' A' ' 14' ' ' ILE . . . -104.73 135.62 45.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.6 t -88.91 119.28 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -130.02 99.7 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.0 m -82.49 124.72 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.0 t -125.02 100.42 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 90.1 m -98.96 117.48 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 25' ' ' ALA . 65.7 t -105.73 138.14 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 32.9 p -132.92 179.56 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -79.86 135.5 55.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 167.97 22.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.236 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.449 ' HB3' HG21 ' A' ' 87' ' ' ILE . 55.0 m95 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.719 0.295 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 mt -72.44 99.73 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 36' ' ' GLU . 12.7 p -76.04 -24.93 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -168.32 145.65 3.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.675 0.75 . . . . 0.0 110.927 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.4 Cg_endo -69.78 165.2 77.32 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.332 -0.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.6 t -102.53 63.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.02 -148.48 20.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -93.18 148.89 21.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.2 t -135.11 141.35 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -110.19 138.38 46.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.42 122.5 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.35 123.67 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -124.13 175.89 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -131.28 163.7 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 -50.72 118.82 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt 65.36 38.67 5.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 9.3 tp10 -100.29 158.92 15.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -103.75 119.17 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG2' HD13 ' A' ' 72' ' ' LEU . 29.6 m -115.16 165.67 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 71' ' ' VAL . 93.2 t -144.26 105.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.617 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.2 mp -82.4 140.67 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.6 m -113.82 113.28 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.66 107.07 6.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.461 ' O ' HG12 ' A' ' 15' ' ' VAL . 11.5 tt0 -95.85 157.35 15.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.717 HD11 ' CG1' ' A' ' 44' ' ' VAL . 63.8 mt -129.01 156.73 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.1 p -85.08 10.32 12.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.521 ' CD ' ' CZ2' ' A' ' 41' ' ' TRP . 8.9 mmp_? -147.98 136.2 11.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.404 ' CA ' HG22 ' A' ' 66' ' ' THR . 53.7 Cg_endo -69.73 -46.97 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.521 ' CZ2' ' CD ' ' A' ' 39' ' ' ARG . 2.0 p-90 -86.35 31.12 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.94 116.91 31.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -88.0 148.18 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.717 ' CG1' HD11 ' A' ' 37' ' ' LEU . 12.3 m -129.3 160.25 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.186 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -139.37 121.46 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.617 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 51.7 m95 -89.95 131.7 35.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.2 p -122.72 128.99 51.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -103.0 95.76 6.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.2 t70 71.13 38.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.52 -31.16 7.01 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.1 143.79 33.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.323 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -83.38 109.94 17.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 m -50.97 136.69 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 p -115.95 132.98 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -42.63 147.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.467 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -171.56 168.43 3.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.729 0.776 . . . . 0.0 110.829 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.1 Cg_endo -69.78 2.25 3.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.14 -12.71 9.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 61' ' ' LEU . 8.1 tt -135.55 105.05 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 64.4 mt -97.95 126.86 43.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.747 HD23 HD13 ' A' ' 70' ' ' LEU . 79.6 mt -98.83 110.62 23.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' ARG . 63.0 mm-40 -93.01 147.31 22.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -139.47 120.15 14.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.663 ' HB3' HG13 ' A' ' 67' ' ' VAL . 2.3 tt0 -99.57 -174.35 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -49.57 -71.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.404 HG22 ' CA ' ' A' ' 40' ' ' PRO . 7.7 p -116.44 1.93 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.663 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.0 p -125.91 142.14 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.5 mmt-85 -111.14 156.24 21.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' GLN . 32.8 mtm180 -147.3 148.5 31.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.747 HD13 HD23 ' A' ' 61' ' ' LEU . 4.9 tp -121.56 108.83 14.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 32' ' ' VAL . 89.5 t -104.06 137.35 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.9 mp -118.5 102.31 50.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.649 0.737 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.41 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 53.2 Cg_endo -69.8 -9.12 25.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.52 105.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -102.18 171.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -139.06 144.07 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.7 mt -47.03 -36.94 8.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -67.66 -38.29 83.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.04 -37.11 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.7 p -46.46 114.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.55 -131.28 1.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -121.99 106.78 11.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -89.17 108.34 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -108.58 120.97 44.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.514 ' SG ' ' CE2' ' A' ' 46' ' ' TRP . 13.0 t -101.1 107.07 18.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -102.07 137.44 40.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.449 HG21 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.06 -55.98 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -134.98 -72.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -119.75 -16.17 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 1.3 pm0 -108.36 169.7 8.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.2 p -147.0 149.27 32.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.29 130.99 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.2 t -85.79 125.51 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -133.98 100.52 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.3 m -81.5 121.0 25.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.9 t -128.36 99.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 96.1 m -103.2 117.66 35.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 25' ' ' ALA . 58.6 t -98.94 148.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 45.2 p -139.91 178.6 7.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -81.87 135.14 48.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.662 0.744 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 165.26 31.51 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.343 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.525 ' HB3' HG21 ' A' ' 87' ' ' ILE . 20.7 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.761 0.315 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 mt -72.94 90.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.572 HG12 ' C ' ' A' ' 36' ' ' GLU . 9.9 p -71.15 -20.1 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -171.01 145.76 1.98 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.702 0.763 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.3 Cg_endo -69.8 166.07 75.1 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.344 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -99.74 63.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.49 -151.04 22.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -88.45 146.96 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.81 135.41 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.46 140.2 38.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.01 129.57 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.9 125.95 51.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.403 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -126.06 177.0 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 t -132.72 154.66 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -43.42 118.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt 64.49 39.5 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.482 ' H ' HG22 ' A' ' 75' ' ' VAL . 15.8 tp10 -98.72 159.73 14.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.07 104.25 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.487 ' CG2' HD13 ' A' ' 72' ' ' LEU . 32.8 m -102.96 162.21 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.751 HG22 HG22 ' A' ' 71' ' ' VAL . 93.4 t -142.52 106.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.627 HD22 HD23 ' A' ' 70' ' ' LEU . 5.8 mp -86.2 144.07 27.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.5 m -116.81 123.06 46.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.45 ' C ' HG23 ' A' ' 67' ' ' VAL . 4.4 t -142.45 106.11 4.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.572 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.7 tt0 -95.9 152.59 18.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.8 mt -125.11 156.28 38.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 t -70.92 -18.1 62.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -130.77 144.46 53.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.862 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.74 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -82.68 37.35 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.09 113.19 24.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -80.99 134.74 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.644 HG12 ' HB ' ' A' ' 87' ' ' ILE . 15.8 m -129.38 173.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.475 ' NE ' ' HB2' ' A' ' 52' ' ' GLU . 17.0 ttt180 -151.76 132.04 13.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.714 ' O ' HG22 ' A' ' 53' ' ' VAL . 64.7 m95 -93.28 131.26 38.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.4 p -121.82 134.87 54.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -112.78 95.63 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 74.99 30.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.8 -33.67 6.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.49 151.75 30.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.475 ' HB2' ' NE ' ' A' ' 45' ' ' ARG . 62.7 tt0 -91.85 111.82 23.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 46' ' ' TRP . 17.3 m -52.7 141.34 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.7 p -117.3 134.59 60.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -43.06 148.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.466 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -172.99 168.44 2.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.901 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.466 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.2 Cg_endo -69.69 2.67 3.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.65 2.234 . . . . 0.0 112.36 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.05 -13.8 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.699 HD21 HD21 ' A' ' 61' ' ' LEU . 7.7 tt -135.07 103.85 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.3 mt -95.48 129.57 42.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.699 HD21 HD21 ' A' ' 59' ' ' LEU . 84.2 mt -102.26 108.44 19.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' ARG . 91.0 mm-40 -93.68 154.02 18.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -140.4 116.32 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.586 ' HB3' HG13 ' A' ' 67' ' ' VAL . 5.4 tt0 -93.09 -177.86 4.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.58 -59.1 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.862 HG22 ' HA ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -134.6 5.55 3.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.586 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.3 p -126.62 118.79 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -82.35 143.7 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 62' ' ' GLN . 38.1 mtm180 -131.17 141.16 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.627 HD23 HD22 ' A' ' 33' ' ' LEU . 6.4 tp -115.73 100.01 7.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.751 HG22 HG22 ' A' ' 32' ' ' VAL . 78.6 t -98.49 136.89 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.487 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -120.1 108.27 38.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -10.5 28.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.24 106.54 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.156 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.482 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.8 m -101.22 174.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -142.63 145.98 34.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.607 HD23 HG12 ' A' ' 98' ' ' VAL . 62.6 mt -47.4 -36.47 9.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.4 -37.76 80.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -55.69 -33.45 64.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.9 p -56.4 114.8 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -163.16 -118.24 0.44 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -132.83 99.9 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -85.19 107.12 17.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -107.73 116.26 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.42 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 18.2 t -95.12 107.22 19.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -101.38 140.48 35.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.644 ' HB ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -112.43 -60.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.41 ' H ' HG23 ' A' ' 87' ' ' ILE . 1.2 t70 -134.96 -72.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -119.89 -9.38 9.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -112.43 168.02 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.5 p -147.19 142.92 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.72 128.07 51.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.8 t -85.95 125.3 33.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -131.56 99.97 4.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.3 m -80.43 124.45 28.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.2 t -128.49 92.49 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.5 m -91.05 122.79 34.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.607 HG12 HD23 ' A' ' 77' ' ' LEU . 61.9 t -105.07 143.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.3 p -133.29 173.51 11.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -75.38 132.84 75.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 162.91 40.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.242 . . . . 0.0 112.35 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.225 . . . . 0.0 112.335 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.702 ' HB3' HD13 ' A' ' 87' ' ' ILE . 56.5 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.691 0.281 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.418 ' CD1' ' C ' ' A' ' 91' ' ' SER . 15.5 mt -71.19 102.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.424 HG12 ' C ' ' A' ' 36' ' ' GLU . 11.1 p -79.34 -28.95 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -160.3 146.42 11.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.655 0.741 . . . . 0.0 110.963 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.9 Cg_endo -69.8 164.77 78.5 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.36 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -100.65 63.31 1.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.29 -153.27 25.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -91.0 143.63 26.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -130.73 129.02 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -100.04 135.29 41.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.1 t -139.78 132.13 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.27 127.4 54.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -123.86 176.99 5.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.449 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.5 t -138.18 158.03 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -42.71 111.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 mt 67.69 45.36 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' CB ' ' H ' ' A' ' 26' ' ' VAL . 30.8 tp10 -100.37 160.18 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -102.26 101.56 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.461 ' CG2' HD13 ' A' ' 72' ' ' LEU . 19.2 m -100.0 157.76 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -139.94 105.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mp -89.68 131.92 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.2 m -107.54 119.41 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.446 ' C ' HG23 ' A' ' 67' ' ' VAL . 2.6 t -137.89 108.77 6.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.9 tt0 -96.19 161.32 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.785 HD11 ' CG1' ' A' ' 44' ' ' VAL . 35.4 mt -134.05 154.29 51.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.0 p -79.22 2.98 19.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.3 mmt180 -142.34 138.0 16.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.906 ' HA ' HG22 ' A' ' 66' ' ' THR . 54.0 Cg_endo -69.75 -50.43 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.296 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.6 p-90 -84.15 30.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.82 114.05 26.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -80.93 138.24 36.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.785 ' CG1' HD11 ' A' ' 37' ' ' LEU . 5.5 m -123.27 166.79 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.443 ' NH1' ' OE1' ' A' ' 52' ' ' GLU . 54.1 ttm-85 -150.48 126.65 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -92.65 141.77 28.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.3 p -136.08 130.63 33.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -106.43 100.53 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.2 t0 74.09 25.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.96 -33.87 6.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -80.97 147.0 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.443 ' OE1' ' NH1' ' A' ' 45' ' ' ARG . 8.6 tt0 -82.94 125.04 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 m -64.88 135.33 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.0 141.22 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -48.19 148.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.533 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 1.1 p -171.52 166.71 4.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 54.2 Cg_endo -69.78 4.31 2.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.627 2.218 . . . . 0.0 112.382 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -123.68 -4.11 8.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.71 HD21 HD21 ' A' ' 61' ' ' LEU . 8.1 tt -143.39 104.97 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 mt -99.79 126.3 45.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.71 HD21 HD21 ' A' ' 59' ' ' LEU . 76.5 mt -95.21 112.75 24.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -101.39 151.07 22.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -139.65 119.74 13.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.67 ' HB3' HG13 ' A' ' 67' ' ' VAL . 2.1 tp10 -94.23 179.44 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -38.82 -65.83 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.906 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.0 OUTLIER -127.96 4.69 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.67 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.2 p -125.25 123.65 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -86.96 148.76 25.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -138.19 142.34 40.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.623 HD13 HD23 ' A' ' 61' ' ' LEU . 5.8 tp -115.44 107.16 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.5 t -104.28 137.35 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.0 mp -123.17 105.38 34.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.72 -14.49 36.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.565 ' O ' ' HB1' ' A' ' 58' ' ' ALA . . . -160.56 105.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.42 HG12 ' HB3' ' A' ' 72' ' ' LEU . 1.2 m -101.92 178.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.41 ' N ' HG23 ' A' ' 75' ' ' VAL . 28.9 mm-40 -149.16 156.03 41.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.683 HD23 HG12 ' A' ' 98' ' ' VAL . 28.8 mt -53.79 -30.27 44.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -79.32 -25.03 42.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -78.31 5.54 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 t -95.98 154.51 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 154.66 -117.83 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -129.4 106.09 8.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -87.84 107.03 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -104.76 122.87 46.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 21.3 t -101.25 107.44 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -101.22 134.86 43.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.702 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.55 -58.63 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.554 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 5.6 t0 -135.01 -72.23 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -118.64 -24.13 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -101.94 169.55 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.418 ' C ' ' CD1' ' A' ' 14' ' ' ILE . 57.9 p -144.46 151.09 38.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -103.53 136.7 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.1 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 t -92.3 122.97 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -135.01 100.19 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.8 m -81.76 120.5 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.0 t -128.59 94.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 97.3 m -91.7 122.86 34.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.683 HG12 HD23 ' A' ' 77' ' ' LEU . 72.5 t -104.54 142.95 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.9 p -141.11 173.66 11.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -76.25 134.47 70.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.74 40.92 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.609 ' HB3' HD13 ' A' ' 87' ' ' ILE . 61.8 m95 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.735 0.303 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.464 HG21 ' HB2' ' A' ' 92' ' ' ALA . 11.4 mt -66.44 94.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.423 HG12 ' C ' ' A' ' 36' ' ' GLU . 14.2 p -70.18 -33.53 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -156.67 145.98 15.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.897 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.0 Cg_endo -69.75 171.56 53.07 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.372 -0.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t -104.41 63.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.96 -151.35 22.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -89.57 145.84 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.7 t -134.13 139.62 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -107.81 139.22 42.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -142.08 131.26 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.2 138.68 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.725 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -136.21 177.1 8.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.409 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.7 t -138.32 159.63 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.463 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 2.0 tpt180 -45.29 111.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt 68.01 44.68 1.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 23.6 tp10 -100.29 162.53 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 4.0 tmt_? -106.9 103.11 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.435 ' CG2' HD13 ' A' ' 72' ' ' LEU . 34.2 m -101.07 162.21 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.625 HG22 HG22 ' A' ' 71' ' ' VAL . 94.3 t -141.08 105.44 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.569 HD22 HD23 ' A' ' 70' ' ' LEU . 5.1 mp -83.78 134.9 34.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.949 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.472 HG22 ' CE1' ' A' ' 16' ' ' TYR . 22.1 m -108.51 113.21 26.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.401 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.7 t -137.35 105.08 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.0 tt0 -95.74 161.1 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.673 HD11 ' CG1' ' A' ' 44' ' ' VAL . 28.2 mt -130.57 161.29 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 t -84.94 8.24 18.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.619 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 18.1 mmt180 -148.68 140.15 14.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.587 0.708 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.6 Cg_endo -69.77 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.58 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.1 p-90 -83.51 26.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.619 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -89.18 110.62 21.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.062 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -80.76 143.43 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.673 ' CG1' HD11 ' A' ' 37' ' ' LEU . 11.3 m -126.17 163.3 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 -139.88 129.74 24.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.515 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 75.9 m95 -95.78 143.07 27.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.7 p -140.79 132.82 27.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 51' ' ' GLU . 24.5 tttm -106.82 108.4 19.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.6 t70 59.49 48.93 9.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 -29.69 4.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.441 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' LYS . 23.7 mt-10 -82.85 161.74 21.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -98.83 134.16 42.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 46' ' ' TRP . 33.8 m -78.67 131.96 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -109.03 137.51 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -44.87 147.96 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.438 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.38 167.13 4.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.699 0.761 . . . . 0.0 110.835 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.4 Cg_endo -69.74 3.61 2.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.53 -11.81 8.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.72 HD21 HD21 ' A' ' 61' ' ' LEU . 8.1 tt -134.99 98.93 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.435 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 64.5 mt -93.17 126.56 38.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.72 HD21 HD21 ' A' ' 59' ' ' LEU . 82.0 mt -96.79 112.6 24.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 69' ' ' ARG . 69.1 mm-40 -98.38 148.28 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.51 125.66 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.594 ' HB3' HG13 ' A' ' 67' ' ' VAL . 5.2 tt0 -101.36 -174.91 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -48.85 -71.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 40' ' ' PRO . 5.2 p -114.89 -0.33 13.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -125.03 143.94 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -107.06 156.12 19.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 62' ' ' GLN . 35.6 mtm180 -143.18 145.58 32.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.611 HD13 HD23 ' A' ' 61' ' ' LEU . 3.9 tp -119.46 99.61 6.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.625 HG22 HG22 ' A' ' 32' ' ' VAL . 77.8 t -95.9 137.98 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.435 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -122.62 104.23 36.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.435 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 54.2 Cg_endo -69.72 -11.8 31.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.34 107.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.428 HG23 HG11 ' A' ' 98' ' ' VAL . 1.3 m -105.5 172.02 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -142.56 144.26 32.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.463 ' HG ' ' CD ' ' A' ' 27' ' ' ARG . 48.3 mt -45.71 -35.32 4.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -67.13 -39.78 86.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.11 -34.5 66.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.9 p -49.67 124.68 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.53 -124.57 0.85 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -130.19 103.48 6.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -83.95 107.29 16.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.94 127.91 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.9 t -111.07 107.17 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.56 137.81 39.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -110.43 -55.43 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -134.96 -72.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -119.41 -24.47 6.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -101.46 169.02 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.7 p -145.04 148.77 34.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.464 ' HB2' HG21 ' A' ' 14' ' ' ILE . . . -103.37 135.98 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -93.69 128.11 39.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -134.8 99.87 4.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.4 m -80.37 124.82 29.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.9 t -130.7 96.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.3 m -93.41 116.15 28.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.725 HG22 ' HB3' ' A' ' 25' ' ' ALA . 48.9 t -99.65 139.07 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.8 p -131.73 -178.79 5.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -86.21 137.1 35.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.7 65.44 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.402 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.274 . . . . 0.0 112.299 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.761 ' HB3' HD13 ' A' ' 87' ' ' ILE . 59.1 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.753 0.311 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.2 mt -74.28 101.99 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 36' ' ' GLU . 12.4 p -80.37 -30.75 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -162.09 145.17 8.99 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.696 0.76 . . . . 0.0 110.896 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.69 ' HG3' HG21 ' A' ' 21' ' ' VAL . 53.6 Cg_endo -69.76 167.41 71.11 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.348 -0.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.9 p -112.47 66.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.41 -131.34 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -107.91 145.4 33.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.69 HG21 ' HG3' ' A' ' 17' ' ' PRO . 87.0 t -134.56 116.26 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -98.67 135.0 40.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -138.51 139.72 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.28 134.74 54.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.68 173.24 11.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 t -129.35 160.61 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.402 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 7.1 tpt180 -47.31 119.29 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 mt 64.32 40.59 6.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 35.7 tp10 -102.44 159.65 15.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.38 119.14 38.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 72' ' ' LEU . 22.4 m -115.93 165.75 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 71' ' ' VAL . 85.4 t -144.04 105.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.643 HD22 HD23 ' A' ' 70' ' ' LEU . 5.1 mp -81.9 142.51 32.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 m -113.37 114.82 27.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -139.03 106.15 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.429 ' O ' HG12 ' A' ' 15' ' ' VAL . 11.2 tt0 -95.76 156.26 16.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.645 HD11 ' CG1' ' A' ' 44' ' ' VAL . 31.3 mt -128.4 159.51 35.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.76 13.04 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.519 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 22.4 mmt180 -150.04 138.56 12.44 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.566 0.698 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.5 Cg_endo -69.8 -47.48 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.313 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.519 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.5 p-90 -88.43 33.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.61 110.33 21.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -83.25 129.82 35.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 37' ' ' LEU . 14.7 m -116.78 164.21 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -144.6 123.4 12.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.564 ' O ' HG22 ' A' ' 53' ' ' VAL . 42.6 m95 -90.01 134.82 34.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.7 p -125.27 131.19 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -101.04 93.68 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 73.55 36.6 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.48 -29.37 9.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -80.96 143.98 32.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -83.96 112.47 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 46' ' ' TRP . 33.1 m -52.55 145.8 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.1 p -121.31 123.12 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.4 mt-10 -35.49 147.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -171.88 167.11 3.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.748 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.74 6.28 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.46 -13.97 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.816 HD21 HD21 ' A' ' 61' ' ' LEU . 7.2 tt -134.97 99.8 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.449 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 52.1 mt -93.5 125.86 38.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.816 HD21 HD21 ' A' ' 59' ' ' LEU . 59.3 mt -96.69 112.07 23.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.41 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 57.1 mm-40 -93.22 146.77 23.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HG3' ' C ' ' A' ' 62' ' ' GLN . 37.5 mttt -140.77 117.47 10.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.698 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.1 tt0 -96.82 -174.76 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -50.71 -71.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 40' ' ' PRO . 7.1 p -115.15 2.78 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.698 HG13 ' HB3' ' A' ' 64' ' ' GLU . 1.6 p -127.21 142.29 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -112.0 155.07 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -146.64 150.28 35.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 61' ' ' LEU . 6.1 tp -121.14 106.11 11.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 32' ' ' VAL . 92.0 t -101.4 136.71 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 71' ' ' VAL . 6.7 mp -119.7 102.03 47.69 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.603 0.716 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.449 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 53.6 Cg_endo -69.76 -8.69 24.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.37 105.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 76' ' ' GLN . 1.1 m -102.71 178.33 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.417 ' N ' HG23 ' A' ' 75' ' ' VAL . 8.0 mp0 -147.54 150.52 34.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.427 HD23 HG12 ' A' ' 98' ' ' VAL . 61.0 mt -52.86 -34.87 56.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.12 -37.27 75.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.17 -35.4 67.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.4 p -47.44 117.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.39 -132.47 1.45 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.99 105.14 10.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -86.36 107.4 17.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -107.83 120.32 41.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 11.4 t -98.46 107.15 19.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -100.79 136.7 40.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.761 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -111.06 -57.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.47 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 7.7 t0 -135.0 -72.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -118.45 -24.48 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -102.75 170.35 8.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.2 p -146.03 151.47 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.51 129.66 50.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.2 t -85.78 124.7 32.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -134.1 99.91 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.24 25.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.0 t -126.73 105.32 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 80.9 m -104.97 124.45 49.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.427 HG12 HD23 ' A' ' 77' ' ' LEU . 57.5 t -106.25 149.71 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.1 p -143.31 179.97 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -83.55 136.21 42.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 162.75 40.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.382 179.888 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.71 ' HB3' HD13 ' A' ' 87' ' ' ILE . 39.4 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.722 0.296 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.3 mt -74.69 90.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 36' ' ' GLU . 10.8 p -68.43 -21.48 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.549 ' CG ' ' HA ' ' A' ' 17' ' ' PRO . 1.3 t80 -174.31 145.0 0.99 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.675 0.75 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.894 ' HG3' HG21 ' A' ' 21' ' ' VAL . 54.0 Cg_endo -69.81 163.95 80.64 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.353 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -109.74 66.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.52 172.62 14.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 130.05 23.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.356 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.894 HG21 ' HG3' ' A' ' 17' ' ' PRO . 89.4 t -111.66 139.48 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -121.51 134.2 55.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -145.38 141.52 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.63 142.27 46.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.83 176.8 8.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -133.07 160.6 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -48.33 114.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 mt 69.84 43.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.461 ' O ' HG13 ' A' ' 75' ' ' VAL . 5.3 tp10 -103.25 162.03 13.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.42 110.11 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.439 ' CG2' HD13 ' A' ' 72' ' ' LEU . 34.4 m -108.79 162.85 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.484 HG22 HG22 ' A' ' 71' ' ' VAL . 90.2 t -142.3 105.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.726 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 4.3 mp -83.18 132.93 35.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.3 m -106.84 113.62 27.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.38 105.23 6.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.53 ' O ' HG12 ' A' ' 15' ' ' VAL . 12.6 tt0 -95.83 152.67 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.726 HD11 ' CG1' ' A' ' 44' ' ' VAL . 50.2 mt -125.65 154.2 42.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 p -81.71 5.8 17.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.743 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 11.1 mmt180 -142.76 137.83 15.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.853 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.627 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.5 Cg_endo -69.8 -49.68 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.564 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.8 p-90 -83.41 21.39 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.743 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -83.81 112.91 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -86.07 140.38 30.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.726 ' CG1' HD11 ' A' ' 37' ' ' LEU . 16.4 m -127.27 165.24 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -147.38 125.8 12.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.726 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 52.1 m95 -87.89 133.47 33.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.3 p -122.37 131.36 53.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 83' ' ' TYR . 14.5 tttt -106.26 97.31 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 71.68 34.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.93 -27.25 17.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -83.41 151.66 25.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -87.45 115.91 25.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 46' ' ' TRP . 34.4 m -45.01 149.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 54' ' ' VAL . 9.8 p -125.57 113.19 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' VAL . 6.0 mt-10 -33.77 147.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.469 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -170.29 168.46 4.22 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.664 0.745 . . . . 0.0 110.865 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.1 Cg_endo -69.79 1.28 4.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -117.82 -10.1 10.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.747 HD21 HD21 ' A' ' 61' ' ' LEU . 6.8 tt -138.44 111.29 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.6 mt -105.1 125.76 51.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.855 HD23 HD13 ' A' ' 70' ' ' LEU . 62.4 mt -96.01 111.19 23.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 75.7 mm-40 -94.97 150.93 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' HG3' ' C ' ' A' ' 62' ' ' GLN . 46.9 mttt -144.79 117.25 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.655 ' HB3' HG13 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -96.49 -174.37 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -48.41 -71.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 40' ' ' PRO . 7.2 p -116.94 3.74 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.655 HG13 ' HB3' ' A' ' 64' ' ' GLU . 1.8 p -126.98 133.62 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.0 mmt-85 -106.66 151.21 25.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 62' ' ' GLN . 58.4 mtm180 -144.21 150.89 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.855 HD13 HD23 ' A' ' 61' ' ' LEU . 3.2 tp -121.03 101.67 7.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.484 HG22 HG22 ' A' ' 32' ' ' VAL . 92.6 t -95.86 143.92 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.439 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.1 mp -126.18 107.43 24.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.17 34.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.404 ' O ' ' HB1' ' A' ' 58' ' ' ALA . . . -164.66 107.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 29' ' ' GLU . 1.2 m -102.66 175.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -144.53 150.98 38.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.57 -33.48 46.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -35.3 75.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.82 -34.67 74.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -50.37 118.8 3.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.69 -124.24 0.7 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -131.67 100.0 4.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 48' ' ' LYS . 16.0 m-85 -83.93 111.16 19.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 93' ' ' SER . 2.0 mm? -110.45 110.02 20.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.546 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 35.0 t -88.51 106.16 18.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.74 155.43 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.754 HG23 ' H ' ' A' ' 88' ' ' ASP . 0.5 OUTLIER -130.19 -74.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.754 ' H ' HG23 ' A' ' 87' ' ' ILE . 3.7 t70 -123.68 -71.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -121.73 -10.48 8.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -107.53 169.52 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.431 ' HB2' HD12 ' A' ' 84' ' ' LEU . 3.4 p -147.16 137.97 23.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -103.47 122.97 46.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.447 ' HA ' HD22 ' A' ' 84' ' ' LEU . 20.3 t -85.77 131.37 34.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.48 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 20.1 m-85 -135.01 99.58 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.6 m -80.04 103.48 9.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.08 98.54 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.5 m -95.58 135.83 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 19.1 t -117.33 135.62 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.6 p -125.54 -179.72 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -85.85 136.48 36.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 155.77 65.14 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.713 2.275 . . . . 0.0 112.338 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.669 ' CE3' HD11 ' A' ' 87' ' ' ILE . 37.3 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.804 0.335 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.9 mt -76.06 102.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.498 HG12 ' C ' ' A' ' 36' ' ' GLU . 12.0 p -80.0 -22.57 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.565 ' HA ' ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -168.6 144.19 2.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.73 165.55 76.26 Favored 'Cis proline' 0 C--O 1.231 0.144 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.322 -0.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -99.29 62.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.54 -150.83 22.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -89.63 148.44 23.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -135.12 148.25 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -115.3 138.69 50.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.0 t -143.18 128.13 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.93 145.25 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -145.25 176.26 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.452 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.2 t -136.08 160.63 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.061 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 ttp85 -45.39 111.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt 68.72 44.18 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 9.5 tp10 -99.33 162.17 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -105.21 104.49 14.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 m -105.57 159.07 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.903 HG22 HG22 ' A' ' 71' ' ' VAL . 72.3 t -141.76 105.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.517 HD22 HD23 ' A' ' 70' ' ' LEU . 4.2 mp -84.54 140.67 31.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.0 m -113.32 119.42 37.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.432 ' C ' HG23 ' A' ' 67' ' ' VAL . 3.5 t -138.25 106.82 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.498 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.8 tt0 -95.93 154.89 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.469 HD11 ' CG1' ' A' ' 44' ' ' VAL . 32.8 mt -129.43 155.01 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.9 p -78.97 2.54 19.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 39.3 mmt-85 -139.5 136.49 17.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.833 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.5 Cg_endo -69.78 -51.09 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.363 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.3 p-90 -84.16 29.25 0.57 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.91 109.91 20.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.16 136.31 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' A' ' 87' ' ' ILE . 30.1 m -123.77 175.62 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -154.25 125.32 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 60.2 m95 -86.3 134.06 33.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.8 p -129.0 128.51 43.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 51' ' ' GLU . 17.0 tttm -101.52 100.78 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 64.35 43.46 4.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.6 -33.0 4.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.444 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' LYS . 19.8 mt-10 -78.38 149.04 33.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.72 128.61 36.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.03 140.6 18.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -118.98 128.68 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -39.94 145.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.456 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -167.67 168.01 6.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.701 0.762 . . . . 0.0 110.867 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.456 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.0 Cg_endo -69.78 3.3 2.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.722 2.281 . . . . 0.0 112.291 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.46 -3.26 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 59' ' ' LEU . 7.2 tt -143.73 105.02 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -98.89 130.13 45.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.596 HD21 HD21 ' A' ' 59' ' ' LEU . 62.1 mt -99.69 111.69 24.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' ARG . 64.2 mm-40 -93.35 148.48 22.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.78 120.29 12.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.673 ' HB3' HG13 ' A' ' 67' ' ' VAL . 1.1 tp10 -98.85 -176.43 3.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -43.85 -71.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.833 HG22 ' HA ' ' A' ' 40' ' ' PRO . 0.8 OUTLIER -120.29 6.19 10.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.673 HG13 ' HB3' ' A' ' 64' ' ' GLU . 1.7 p -127.34 131.55 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -95.47 153.97 17.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' GLN . 26.9 mtt180 -143.43 147.44 34.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.577 HD13 HD23 ' A' ' 61' ' ' LEU . 7.9 tp -119.88 107.51 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.903 HG22 HG22 ' A' ' 32' ' ' VAL . 52.9 t -104.65 136.0 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 71' ' ' VAL . 6.8 mp -121.0 107.29 37.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.591 0.71 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.2 Cg_endo -69.71 -15.11 37.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.372 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.23 106.74 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.44 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.3 m -104.88 159.87 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -132.42 149.89 52.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.3 mt -49.21 -28.19 4.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -68.26 -34.58 76.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -36.78 77.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.9 p -43.32 115.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.07 -127.53 0.99 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -133.22 104.9 6.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -84.73 109.65 18.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.42 113.54 26.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.529 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 44.1 t -94.37 106.89 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -96.01 149.57 21.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.77 HG23 ' H ' ' A' ' 88' ' ' ASP . 0.7 OUTLIER -123.92 -70.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.77 ' H ' HG23 ' A' ' 87' ' ' ILE . 4.7 t0 -124.61 -72.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -121.63 -15.11 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -106.01 174.37 5.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.4 p -147.72 146.66 29.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.529 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -103.71 128.5 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.2 t -87.4 130.9 34.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -139.93 104.97 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.2 m -86.34 120.28 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 68.3 t -125.84 105.07 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 83.1 m -102.92 119.55 39.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 25' ' ' ALA . 58.5 t -102.03 145.91 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.7 p -136.78 -176.84 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -90.16 134.98 30.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.74 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 161.46 45.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.365 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.758 ' HB3' HD13 ' A' ' 87' ' ' ILE . 71.5 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.716 0.293 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.448 HG21 ' HB2' ' A' ' 92' ' ' ALA . 14.9 mt -70.65 94.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.402 HG12 ' C ' ' A' ' 36' ' ' GLU . 13.4 p -70.53 -29.09 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -161.26 145.87 10.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.2 Cg_endo -69.68 172.38 48.97 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.385 -0.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p -106.65 64.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.62 -145.4 15.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -96.8 145.59 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.6 t -134.04 133.97 55.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -103.5 139.49 38.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.3 t -142.51 132.42 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.51 133.88 50.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.744 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -129.66 176.57 7.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -136.92 158.15 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -43.78 112.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt 65.74 46.01 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 17.8 tp10 -101.36 160.03 14.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.88 101.84 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.432 ' CG2' HD13 ' A' ' 72' ' ' LEU . 17.5 m -100.16 159.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 71' ' ' VAL . 97.4 t -142.05 106.94 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.489 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.1 mp -85.36 137.9 32.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -110.2 114.41 27.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -138.39 108.79 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 37' ' ' LEU . 11.7 tt0 -95.61 165.62 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.53 HD11 HG13 ' A' ' 44' ' ' VAL . 43.6 mt -136.57 160.76 37.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.3 p -87.68 8.19 26.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.583 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.1 mmt180 -146.51 139.73 14.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 0.0 110.844 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.558 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.4 Cg_endo -69.83 -50.46 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.583 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.2 p-90 -84.1 29.15 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -94.02 109.77 21.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -85.19 144.87 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.53 HG13 HD11 ' A' ' 37' ' ' LEU . 21.5 m -121.2 165.09 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -139.91 118.92 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.505 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 59.8 m95 -89.81 132.28 35.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.9 p -125.93 131.43 52.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 15.9 tttm -102.87 93.59 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 74.92 25.07 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.21 -33.55 6.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 6.9 pt-20 -79.08 141.96 36.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -79.51 121.79 25.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 m -63.51 135.72 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.88 140.76 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -51.09 148.2 4.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.443 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.4 167.49 3.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.863 -179.764 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.5 Cg_endo -69.76 4.5 2.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.47 -6.44 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.766 HD21 HD21 ' A' ' 61' ' ' LEU . 7.8 tt -141.92 105.0 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 69.6 mt -97.85 127.87 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.766 HD21 HD21 ' A' ' 59' ' ' LEU . 78.7 mt -99.91 110.45 22.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -91.87 147.83 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -139.51 115.95 10.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.958 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.615 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.7 tt0 -93.02 -175.41 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.52 -66.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 40' ' ' PRO . 2.2 p -119.55 -0.78 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.4 p -123.53 145.52 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.1 mmt-85 -112.54 156.09 23.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -147.4 147.12 29.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.636 HD13 HD23 ' A' ' 61' ' ' LEU . 5.8 tp -116.6 106.36 13.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 32' ' ' VAL . 85.1 t -102.85 134.03 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.432 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.2 mp -118.78 107.62 42.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.78 -14.74 36.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.358 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.01 106.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.96 169.8 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -137.44 142.78 41.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.469 HD23 HG12 ' A' ' 98' ' ' VAL . 53.1 mt -44.81 -38.38 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -36.2 83.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -56.25 -36.11 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.7 p -44.88 114.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.12 -139.48 2.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -116.26 101.19 8.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -83.92 103.25 13.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.87 125.42 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.505 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 43.8 t -101.85 107.43 18.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -102.37 129.96 48.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.758 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -105.64 -67.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.59 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 1.9 t70 -122.74 -71.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -122.21 -22.06 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -100.26 168.47 9.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.7 p -145.79 146.9 31.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.448 ' HB2' HG21 ' A' ' 14' ' ' ILE . . . -104.32 133.14 49.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -89.59 125.23 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -133.77 99.99 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.7 m -80.28 122.94 27.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 82.7 t -127.04 95.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.7 m -93.93 116.14 28.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.744 HG22 ' HB3' ' A' ' 25' ' ' ALA . 58.8 t -101.33 137.82 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.5 p -132.83 178.14 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -80.58 137.38 51.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.63 30.31 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.369 179.945 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.599 ' HB3' HD13 ' A' ' 87' ' ' ILE . 61.8 m95 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.757 0.313 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.1 mt -71.41 92.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.449 HG12 ' C ' ' A' ' 36' ' ' GLU . 9.7 p -69.41 -28.9 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -164.4 145.65 6.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.752 0.787 . . . . 0.0 110.886 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.76 165.51 76.44 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.34 -0.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -109.92 66.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.37 -151.56 23.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -87.46 145.8 26.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.468 HG21 ' HG3' ' A' ' 17' ' ' PRO . 86.6 t -135.04 123.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -101.52 137.7 39.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.8 t -142.39 128.15 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.32 123.83 50.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.96 172.78 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.433 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 1.5 t -124.41 158.6 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -45.17 121.59 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt 62.59 35.46 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 11.1 tp10 -96.66 155.92 16.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -100.73 121.44 41.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.404 ' CG2' HD13 ' A' ' 72' ' ' LEU . 27.1 m -118.01 165.19 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.698 HG22 HG22 ' A' ' 71' ' ' VAL . 89.9 t -144.46 106.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.514 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.4 mp -83.85 140.54 31.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.0 m -112.49 118.28 34.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.5 t -140.25 105.95 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.449 ' C ' HG12 ' A' ' 15' ' ' VAL . 19.1 tt0 -95.87 160.9 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.493 HD11 ' CG1' ' A' ' 44' ' ' VAL . 33.6 mt -132.13 155.58 47.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.1 t -80.61 4.73 17.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.527 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 26.9 mmt180 -144.51 138.9 15.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.87 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.74 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.527 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.0 p-90 -84.77 30.94 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -95.29 110.8 22.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.065 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HA ' ' NH2' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -83.36 145.87 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.493 ' CG1' HD11 ' A' ' 37' ' ' LEU . 16.9 m -130.24 164.65 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -142.88 123.96 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 55.0 m95 -88.58 130.34 35.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.2 p -122.86 128.01 49.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -102.22 93.53 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 71.53 38.7 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.64 -32.79 5.97 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.436 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -79.29 145.98 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -86.08 118.65 25.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.4 m -56.2 139.28 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 54' ' ' VAL . 14.9 p -118.75 126.35 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -38.6 147.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.31 167.77 4.52 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.655 0.741 . . . . 0.0 110.882 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.9 Cg_endo -69.73 2.38 3.56 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.73 2.287 . . . . 0.0 112.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.09 -8.97 9.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.739 HD21 HD21 ' A' ' 61' ' ' LEU . 8.0 tt -138.82 106.34 5.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.6 mt -98.28 128.51 44.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.739 HD21 HD21 ' A' ' 59' ' ' LEU . 67.8 mt -99.6 108.86 21.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -91.9 146.25 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -137.22 119.67 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.619 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.3 tt0 -96.75 -175.61 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.34 -65.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.87 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.3 p -122.62 0.19 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.619 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.4 p -123.12 140.97 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.457 ' NH1' HG22 ' A' ' 44' ' ' VAL . 17.7 mmt85 -107.13 154.88 20.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -146.9 146.66 30.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.722 HD13 HD23 ' A' ' 61' ' ' LEU . 7.8 tp -118.71 111.95 19.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.698 HG22 HG22 ' A' ' 32' ' ' VAL . 99.7 t -108.29 134.77 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.1 mp -117.83 104.49 48.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.3 Cg_endo -69.73 -11.28 30.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.726 2.284 . . . . 0.0 112.35 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.15 105.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 29' ' ' GLU . 1.1 m -100.58 177.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.4 ' N ' HG23 ' A' ' 75' ' ' VAL . 12.7 mp0 -146.86 145.52 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.7 mt -48.76 -31.85 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -69.82 -38.39 76.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -55.27 -35.81 65.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.6 p -44.96 115.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.46 -128.14 0.96 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -130.96 103.08 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.392 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -83.9 108.08 16.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -108.3 115.06 29.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.568 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 42.7 t -95.93 107.2 19.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -102.17 141.13 35.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.599 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -112.07 -57.99 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' H ' HG23 ' A' ' 87' ' ' ILE . 6.9 t0 -134.98 -72.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -119.39 -16.36 8.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.517 ' CD ' ' N ' ' A' ' 90' ' ' GLU . 4.0 mp0 -106.27 168.13 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.1 p -147.19 144.9 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.42 127.05 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.1 t -85.6 128.5 34.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -133.9 100.08 4.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.7 m -79.74 118.08 21.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.5 t -126.41 101.22 7.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 63.7 m -102.87 119.65 39.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.7 t -97.78 150.38 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -141.67 178.79 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -85.29 133.25 42.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.59 18.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p 46.04 42.17 9.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -116.38 146.04 42.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.95 -158.27 0.14 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -157.9 111.24 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 110.874 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -136.42 173.73 11.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.64 145.92 9.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -173.57 159.39 3.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -63.02 88.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.0 p -125.53 139.01 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -99.28 -61.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 p -128.61 108.02 10.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.725 ' HB3' HD13 ' A' ' 87' ' ' ILE . 68.3 m95 -58.54 -47.33 84.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.1 mt -74.45 94.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.4 p -74.05 -28.65 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -163.79 145.26 7.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.732 0.777 . . . . 0.0 110.898 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.0 Cg_endo -69.74 169.41 63.39 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.342 -0.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.4 t -104.57 64.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.11 -154.13 24.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -87.27 144.9 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.8 t -132.92 134.2 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -104.54 132.46 50.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.5 t -135.18 128.33 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.72 122.28 46.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.526 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -121.83 172.54 8.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -127.92 154.03 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -44.21 118.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.3 mt 65.76 38.63 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 26.2 tp10 -100.56 157.92 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -100.24 105.94 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.526 HG11 ' HB2' ' A' ' 25' ' ' ALA . 32.9 m -105.65 161.08 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 71' ' ' VAL . 94.2 t -141.77 106.59 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.722 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.1 mp -82.42 137.98 34.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.491 HG22 ' CE1' ' A' ' 16' ' ' TYR . 21.4 m -109.77 112.71 24.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -139.32 105.12 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' O ' HD23 ' A' ' 37' ' ' LEU . 9.6 tt0 -95.83 164.38 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.81 HD11 ' CG1' ' A' ' 44' ' ' VAL . 25.5 mt -135.63 159.32 41.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -86.42 10.07 16.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.605 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 61.6 mmt-85 -146.7 135.63 11.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 41' ' ' TRP . 53.8 Cg_endo -69.74 -49.66 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.499 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 1.5 p-90 -81.52 16.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -81.18 110.21 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -83.77 135.18 34.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.81 ' CG1' HD11 ' A' ' 37' ' ' LEU . 15.6 m -116.92 166.01 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -146.36 126.27 13.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.722 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 61.4 m95 -90.49 133.98 34.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.6 p -123.47 132.4 53.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' HD2' ' CZ ' ' A' ' 83' ' ' TYR . 14.9 tttm -113.85 106.41 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 66.96 45.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.62 -30.91 3.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' LYS . 4.1 mm-40 -84.49 161.88 20.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.72 135.91 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.402 HG21 ' HB2' ' A' ' 46' ' ' TRP . 7.0 m -67.09 140.34 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 p -117.85 131.23 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -46.65 146.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -169.14 167.63 5.52 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.709 0.766 . . . . 0.0 110.83 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.6 Cg_endo -69.76 4.03 2.43 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.38 -7.87 9.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.638 HD21 HD21 ' A' ' 61' ' ' LEU . 7.5 tt -140.32 108.19 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.3 mt -101.22 126.41 47.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.688 HD23 HD13 ' A' ' 70' ' ' LEU . 77.8 mt -95.48 110.72 22.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -93.46 143.81 25.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -136.0 119.73 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.667 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.4 tt0 -97.02 -175.07 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -49.93 -68.74 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 p -118.76 2.43 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.667 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -126.08 142.52 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.0 mmt-85 -110.37 156.06 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -149.17 147.47 28.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.688 HD13 HD23 ' A' ' 61' ' ' LEU . 7.1 tp -115.66 107.63 15.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 32' ' ' VAL . 92.7 t -102.12 138.23 27.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.419 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -123.55 107.21 31.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.565 0.698 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.75 -9.84 27.09 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.72 107.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -101.85 170.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -140.32 148.99 42.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.543 HD23 HG12 ' A' ' 98' ' ' VAL . 41.5 mt -48.69 -29.97 5.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -69.91 -36.74 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -57.72 -34.17 69.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.406 ' CB ' ' H ' ' A' ' 98' ' ' VAL . 63.5 p -51.14 116.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.82 -124.71 0.76 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -131.33 104.52 7.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.377 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.472 ' CZ ' ' HD2' ' A' ' 48' ' ' LYS . 27.7 m-85 -89.01 109.37 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.62 111.9 23.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 42.4 t -89.22 107.14 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -102.38 137.89 40.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.725 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.82 -59.2 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -135.02 -72.42 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -120.06 -11.2 9.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' A' ' 90' ' ' GLU . 4.5 mp0 -111.76 168.88 9.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.9 p -147.18 146.73 29.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -103.53 133.04 49.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.2 t -86.14 123.13 31.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -131.93 99.86 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.1 m -83.35 119.22 24.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.8 t -125.1 92.99 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.6 m -91.38 122.43 33.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.543 HG12 HD23 ' A' ' 77' ' ' LEU . 61.2 t -106.29 133.35 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.3 p -128.3 174.79 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -74.73 134.18 75.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.662 0.744 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 168.67 20.89 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.11 17.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.262 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.1 p -51.77 128.74 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -134.3 -46.74 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.682 HD12 ' H ' ' A' ' 105' ' ' ILE . 5.3 mp -55.92 105.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 67.9 mt -127.29 105.15 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.106 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -110.75 130.99 55.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -139.09 153.09 47.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 169.99 163.46 24.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.71 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -56.54 100.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.2 t -69.74 150.71 46.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 p -124.61 91.83 3.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -100.92 154.61 18.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.03 162.04 28.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t -127.54 42.78 3.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m -89.47 159.07 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.03 59.63 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.2 p -139.47 149.11 43.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 111.158 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.81 42.79 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.8 t -102.25 139.32 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.0 m -85.61 -55.91 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.5 p -152.88 113.12 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.76 ' HB3' HD13 ' A' ' 87' ' ' ILE . 58.8 m95 -51.67 -50.13 61.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.5 mt -71.8 97.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.464 HG12 ' C ' ' A' ' 36' ' ' GLU . 9.3 p -73.91 -27.36 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -166.07 145.42 5.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.654 0.74 . . . . 0.0 110.966 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.4 Cg_endo -69.76 166.5 73.9 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.397 -0.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -104.99 64.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.0 -159.61 27.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -83.68 143.4 30.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -134.02 136.67 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -105.38 140.57 38.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -144.07 122.29 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.48 124.24 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.526 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -122.87 176.71 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.9 t -130.72 155.05 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -45.4 117.83 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt 65.61 39.28 5.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' H ' HG22 ' A' ' 75' ' ' VAL . 32.9 tp10 -99.68 157.62 16.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -97.48 105.99 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.425 ' CG2' HD13 ' A' ' 72' ' ' LEU . 16.6 m -106.86 157.76 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.794 HG22 HG22 ' A' ' 71' ' ' VAL . 98.7 t -140.22 107.17 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.468 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 4.2 mp -84.08 139.05 32.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.6 m -110.79 113.57 26.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.85 106.89 6.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.464 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.6 tt0 -95.96 159.59 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.544 HD11 ' CG1' ' A' ' 44' ' ' VAL . 44.3 mt -129.69 161.49 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.453 ' O ' ' NH1' ' A' ' 39' ' ' ARG . 5.4 t -87.15 10.44 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.66 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 49.9 mmt-85 -148.45 140.26 14.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.718 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.514 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.2 Cg_endo -69.76 -51.72 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.281 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.583 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 5.5 p-90 -84.33 23.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.66 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -82.72 109.88 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -85.19 135.08 34.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.587 HG12 ' HB ' ' A' ' 87' ' ' ILE . 28.2 m -120.46 173.74 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -150.92 126.37 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.468 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 56.8 m95 -90.39 142.46 27.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.429 HG22 ' HA ' ' A' ' 52' ' ' GLU . 40.7 p -135.16 127.21 29.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -100.79 100.54 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 64.73 37.01 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.64 -31.23 7.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -80.09 122.93 27.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' HA ' HG22 ' A' ' 47' ' ' THR . 49.6 tt0 -65.44 115.92 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.51 139.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 54' ' ' VAL . 14.4 p -118.9 128.55 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.3 mt-10 -38.44 147.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.447 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.23 167.59 4.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.4 Cg_endo -69.7 3.11 2.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.8 -7.36 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 61' ' ' LEU . 8.0 tt -140.44 105.17 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 70' ' ' LEU . 75.1 mt -98.79 129.21 45.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.788 HD23 HD13 ' A' ' 70' ' ' LEU . 75.7 mt -100.05 110.46 22.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -92.32 147.36 22.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -139.22 120.46 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.665 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.0 tt0 -99.54 -174.73 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.06 -71.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 40' ' ' PRO . 5.5 p -115.69 2.39 13.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.665 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -126.8 145.93 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -115.09 156.11 25.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.405 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 44.3 mtm180 -147.15 149.48 33.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.788 HD13 HD23 ' A' ' 61' ' ' LEU . 7.4 tp -118.98 102.29 8.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.794 HG22 HG22 ' A' ' 32' ' ' VAL . 77.9 t -99.03 138.65 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.459 HD12 ' C ' ' A' ' 71' ' ' VAL . 6.8 mp -122.5 110.99 31.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.3 Cg_endo -69.76 -11.23 30.41 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.96 110.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.465 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.5 m -103.9 169.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -139.71 145.6 38.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.554 HD23 HG12 ' A' ' 98' ' ' VAL . 48.4 mt -45.21 -34.66 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -38.18 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -54.91 -33.85 62.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.0 p -53.21 121.24 7.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -172.34 -119.84 0.54 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -133.59 100.42 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -84.51 105.83 15.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.14 120.06 41.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -97.91 107.52 20.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -99.43 136.81 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.76 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -112.85 -76.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.612 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 3.4 t0 -113.06 -71.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.05 -16.6 6.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -106.48 169.75 8.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.9 p -144.97 149.35 35.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.82 134.54 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.9 t -90.31 126.52 35.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -134.69 99.9 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.7 m -81.64 120.97 25.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.14 93.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 m -92.68 118.05 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.554 HG12 HD23 ' A' ' 77' ' ' LEU . 59.7 t -102.41 143.99 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.9 p -136.69 174.82 10.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -75.39 135.35 72.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.629 0.728 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 164.66 33.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 178.93 4.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.3 t -135.25 106.79 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -126.09 -175.89 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 21.0 mt -53.7 130.77 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.476 HG22 ' H ' ' A' ' 108' ' ' SER . 92.7 mt -121.42 142.03 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -95.95 39.25 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.476 ' H ' HG22 ' A' ' 106' ' ' ILE . 1.9 t -167.75 147.29 4.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -136.58 81.22 0.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 113.1 3.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -69.24 149.42 48.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.794 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.1 p -80.92 147.55 30.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -129.94 106.7 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -66.05 125.66 26.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.5 -79.74 0.58 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -121.53 105.35 10.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m -158.05 123.98 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.07 98.5 0.94 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.5 p -89.82 41.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.735 0.303 . . . . 0.0 111.096 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.94 7.59 5.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.67 150.47 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.0 m -91.98 -61.89 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.3 m -110.67 112.1 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.778 ' HB3' HD13 ' A' ' 87' ' ' ILE . 73.0 m95 -62.92 -56.2 19.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.411 HG21 ' HB2' ' A' ' 92' ' ' ALA . 19.4 mt -64.86 92.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.529 HG12 ' C ' ' A' ' 36' ' ' GLU . 8.7 p -70.84 -28.95 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.581 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -165.31 145.73 5.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 0.0 110.912 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.701 ' HG3' HG21 ' A' ' 21' ' ' VAL . 53.2 Cg_endo -69.81 164.33 79.65 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.317 -0.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -106.79 65.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.31 -152.63 24.74 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -83.72 146.86 27.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.701 HG21 ' HG3' ' A' ' 17' ' ' PRO . 97.5 t -134.9 124.11 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -100.89 137.62 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.9 t -144.04 127.89 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.91 129.6 53.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -131.69 176.62 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.436 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.5 t -132.65 156.13 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -44.4 117.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt 66.65 36.49 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.444 ' H ' HG22 ' A' ' 75' ' ' VAL . 17.8 tp10 -95.49 158.65 15.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -100.44 99.06 9.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.474 HG11 ' HB2' ' A' ' 25' ' ' ALA . 22.5 m -99.36 159.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.745 HG22 HG22 ' A' ' 71' ' ' VAL . 99.2 t -140.48 108.38 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.408 HD22 HD23 ' A' ' 70' ' ' LEU . 5.4 mp -88.25 140.84 29.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.1 m -114.19 123.47 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.46 ' C ' HG23 ' A' ' 67' ' ' VAL . 2.6 t -142.74 112.07 6.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.529 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.7 tt0 -96.12 158.8 15.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 36' ' ' GLU . 58.1 mt -130.2 154.02 47.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -70.27 -18.15 63.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -133.51 145.42 56.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.646 0.736 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.707 ' HA ' HG22 ' A' ' 66' ' ' THR . 54.4 Cg_endo -69.7 -51.32 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.382 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.479 ' CD1' ' HG2' ' A' ' 40' ' ' PRO . 2.0 p-90 -81.96 40.81 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.81 115.24 28.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -80.91 132.34 35.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.593 HG12 ' HB ' ' A' ' 87' ' ' ILE . 14.1 m -126.77 171.98 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -152.69 128.72 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' O ' HG22 ' A' ' 53' ' ' VAL . 65.4 m95 -88.98 137.85 31.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.3 p -130.43 127.51 39.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -101.79 103.9 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 63.02 36.2 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.46 -33.01 6.15 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -77.03 148.75 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -89.31 110.42 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 46' ' ' TRP . 28.3 m -55.08 141.06 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.53 137.04 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -42.3 149.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.44 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -171.15 166.35 4.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.88 -179.781 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 53.4 Cg_endo -69.79 5.01 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.31 -10.91 7.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.752 HD21 HD21 ' A' ' 61' ' ' LEU . 7.0 tt -135.04 101.55 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.9 mt -94.67 127.25 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.752 HD21 HD21 ' A' ' 59' ' ' LEU . 79.8 mt -98.51 112.54 24.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -96.57 161.87 13.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -150.0 113.28 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.678 ' HB3' HG13 ' A' ' 67' ' ' VAL . 1.8 tp10 -92.22 -179.98 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -40.74 -68.25 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.707 HG22 ' HA ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -125.39 6.51 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.678 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -127.08 123.46 62.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.1 mmt-85 -86.82 147.69 25.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.428 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 24.4 mtm180 -135.48 145.74 47.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.608 HD13 HD23 ' A' ' 61' ' ' LEU . 5.7 tp -120.67 98.1 5.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.745 HG22 HG22 ' A' ' 32' ' ' VAL . 70.9 t -95.56 137.4 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.426 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -122.5 106.39 35.21 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.0 Cg_endo -69.76 -10.01 27.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.89 105.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.444 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.7 m -103.18 171.93 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -139.13 150.16 45.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.584 HD23 HG12 ' A' ' 98' ' ' VAL . 52.0 mt -50.63 -37.55 41.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -67.36 -36.32 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -56.98 -35.94 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.459 ' HB3' HG23 ' A' ' 98' ' ' VAL . 70.3 p -52.96 120.84 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.7 -123.58 0.7 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -127.82 101.36 6.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -84.35 102.87 13.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -102.58 115.58 30.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.509 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 43.4 t -97.2 107.62 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.9 139.7 35.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.778 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -113.74 -57.07 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.483 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 3.6 t0 -134.98 -72.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -118.97 -25.62 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -100.18 169.2 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.9 p -145.31 147.0 31.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.411 ' HB2' HG21 ' A' ' 14' ' ' ILE . . . -103.68 125.39 50.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.083 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.8 t -85.88 130.03 34.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -134.86 101.37 4.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.8 m -79.96 119.97 23.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.1 t -124.39 92.72 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.4 m -89.32 121.8 31.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.584 HG12 HD23 ' A' ' 77' ' ' LEU . 44.4 t -105.88 148.34 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.5 p -139.96 -177.71 5.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -84.49 133.87 43.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.35 24.73 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.62 23.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.6 t -94.66 126.52 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -130.77 -58.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.2 mt -137.41 120.52 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.06 122.49 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -146.7 171.34 15.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 t -91.41 143.2 26.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -141.35 -75.17 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.6 9.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.8 m -82.21 162.96 22.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 79.1 p -84.32 -22.26 30.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -51.56 106.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.393 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -159.32 157.82 31.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.16 152.61 20.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -165.83 156.79 13.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -142.51 131.21 22.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.8 123.17 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.4 p -122.85 91.13 3.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.79 0.328 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.53 87.43 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.526 HG11 ' NE1' ' A' ' 13' ' ' TRP . 15.0 p -153.41 159.5 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.508 ' N ' HG22 ' A' ' 10' ' ' VAL . 48.5 t -74.56 148.69 40.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 11' ' ' SER . 67.3 m -34.97 110.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.814 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.8 ' HB3' HD13 ' A' ' 87' ' ' ILE . 61.8 m95 -59.94 -54.57 44.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.9 mt -69.05 101.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.467 HG12 ' C ' ' A' ' 36' ' ' GLU . 12.2 p -77.16 -27.12 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -164.38 146.67 7.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.709 0.766 . . . . 0.0 110.894 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.1 Cg_endo -69.72 168.44 67.3 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.351 -0.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -102.67 63.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.13 -153.36 24.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -86.81 147.2 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.498 HG21 ' HG3' ' A' ' 17' ' ' PRO . 91.3 t -133.44 126.59 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -98.42 133.59 42.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -136.07 137.95 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.97 131.8 56.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.17 171.77 13.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.1 t -125.75 160.4 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -48.69 118.63 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 mt 68.78 34.4 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 10.9 tp10 -98.59 159.66 14.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.96 122.45 45.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.5 m -118.48 165.08 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.667 HG22 HG22 ' A' ' 71' ' ' VAL . 84.7 t -144.24 106.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.508 HD22 HD23 ' A' ' 70' ' ' LEU . 5.0 mp -83.71 139.85 32.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.479 HG22 ' CE1' ' A' ' 16' ' ' TYR . 23.1 m -112.04 117.67 33.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.463 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.9 t -142.65 105.67 4.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.4 tt0 -95.89 161.75 13.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.912 HD11 ' CG1' ' A' ' 44' ' ' VAL . 33.7 mt -132.03 155.76 47.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.6 p -81.59 9.24 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.533 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 9.1 mmp_? -145.07 136.22 12.49 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.874 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.82 -50.17 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.425 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 2.5 p-90 -82.31 19.07 1.27 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -84.38 119.57 25.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -90.25 145.5 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.912 ' CG1' HD11 ' A' ' 37' ' ' LEU . 11.2 m -126.02 166.69 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -149.44 126.03 10.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.496 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 53.5 m95 -90.94 133.22 35.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.5 p -120.32 132.84 55.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -112.69 102.06 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 72.28 40.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.99 -32.06 5.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -84.99 161.24 19.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.06 136.25 33.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 46' ' ' TRP . 10.4 m -66.2 142.04 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.97 129.1 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -46.0 146.44 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -168.57 167.67 6.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.691 0.758 . . . . 0.0 110.838 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.6 Cg_endo -69.71 1.49 4.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.03 -12.27 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.807 HD21 HD21 ' A' ' 61' ' ' LEU . 8.0 tt -134.4 102.98 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.426 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 65.8 mt -96.5 125.89 41.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.807 HD21 HD21 ' A' ' 59' ' ' LEU . 81.9 mt -98.07 109.71 22.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' ARG . 58.4 mm-40 -92.98 146.81 23.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.493 ' HG2' ' CZ ' ' A' ' 68' ' ' ARG . 20.6 mttt -135.82 112.68 10.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.687 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.1 tt0 -87.09 -175.02 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.874 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.1 p -120.24 3.04 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.687 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -126.91 143.73 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 5.2 mmm180 -105.19 156.07 18.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 62' ' ' GLN . 34.3 mtm180 -149.1 142.88 25.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.785 HD13 HD23 ' A' ' 61' ' ' LEU . 6.8 tp -117.77 110.56 17.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.667 HG22 HG22 ' A' ' 32' ' ' VAL . 88.9 t -106.3 136.83 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.415 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.3 mp -118.44 102.19 50.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.426 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 53.4 Cg_endo -69.78 -9.42 26.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.34 105.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 29' ' ' GLU . 1.3 m -104.83 168.75 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -144.9 144.89 31.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.579 HD23 HG12 ' A' ' 98' ' ' VAL . 53.7 mt -44.01 -29.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.75 -38.7 73.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.81 -36.02 66.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.8 p -45.42 116.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -168.84 -139.14 2.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -119.89 102.02 8.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.895 0.379 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -85.27 109.53 18.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -110.17 113.94 27.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 6.2 t -88.04 107.4 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -101.91 134.16 45.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.8 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.64 -61.09 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.151 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.438 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 1.7 t70 -133.93 -71.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -119.29 -20.85 7.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -103.47 168.96 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.3 p -145.93 147.53 31.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.66 131.73 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 t -85.86 124.42 32.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -132.77 99.97 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.1 m -83.17 126.82 33.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.3 t -134.11 107.51 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.7 m -104.59 118.5 36.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.579 HG12 HD23 ' A' ' 77' ' ' LEU . 97.1 t -100.94 146.35 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.4 p -143.68 172.96 12.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.18 137.02 68.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.694 0.759 . . . . 0.0 110.815 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.91 36.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 171.99 13.4 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.358 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.459 HG11 HG13 ' A' ' 106' ' ' ILE . 78.2 t -123.45 123.59 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.4 mtm105 -95.54 -45.87 6.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.6 mm -124.01 125.5 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.459 HG13 HG11 ' A' ' 103' ' ' VAL . 5.4 mp -103.85 119.48 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -102.11 -53.51 2.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.6 p -95.3 -57.69 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.3 -153.5 21.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.61 65.19 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 m -45.15 135.05 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.1 t 46.63 42.72 11.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -161.53 156.67 23.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -47.38 164.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.92 61.0 4.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t -75.14 -46.71 32.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.916 0.389 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' GLY . 43.6 t -133.27 125.24 28.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.63 131.8 0.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.2 m -90.0 100.54 13.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.157 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 t70 56.08 42.46 28.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 10' ' ' VAL . 7.6 p -114.03 131.05 67.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' SER . 8.2 t -74.6 165.45 25.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 11' ' ' SER . 37.5 m -34.56 105.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.836 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.444 ' HB3' HG21 ' A' ' 87' ' ' ILE . 55.2 m95 -36.91 -51.86 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.8 mt -73.03 97.96 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 36' ' ' GLU . 14.1 p -74.15 -27.6 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -166.07 145.73 5.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.666 0.746 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.7 166.06 74.87 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.353 -0.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -104.89 65.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.01 -148.5 20.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -93.54 145.73 24.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.09 145.42 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -113.78 138.77 49.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 t -143.99 143.49 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.24 138.03 51.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.62 169.02 18.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.435 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.6 t -132.99 160.49 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -45.86 112.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt 67.41 43.54 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 11.6 tp10 -98.9 161.93 13.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -106.25 100.69 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.527 ' CG2' HD13 ' A' ' 72' ' ' LEU . 21.9 m -98.19 159.08 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.606 HG22 HG22 ' A' ' 71' ' ' VAL . 89.3 t -141.21 105.35 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.559 HD22 HD23 ' A' ' 70' ' ' LEU . 4.9 mp -84.73 139.3 32.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.9 m -110.34 118.83 37.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.96 105.76 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' O ' HG12 ' A' ' 15' ' ' VAL . 8.4 tt0 -95.88 158.07 15.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.41 HD11 HG13 ' A' ' 44' ' ' VAL . 50.3 mt -127.87 158.85 36.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 t -83.06 6.45 18.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.571 ' HD3' ' CZ2' ' A' ' 41' ' ' TRP . 1.5 mmp_? -149.17 141.61 15.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.571 0.7 . . . . 0.0 110.875 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.645 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.4 Cg_endo -69.79 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.571 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 2.4 p-90 -82.71 33.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -95.61 110.06 22.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.19 140.31 31.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.799 HG12 ' HB ' ' A' ' 87' ' ' ILE . 28.3 m -127.56 167.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -142.88 122.38 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 61.0 m95 -86.63 134.67 33.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.3 p -127.42 127.83 44.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -99.84 93.95 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t0 72.57 36.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.48 -31.78 7.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -80.05 142.64 34.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -81.79 116.32 21.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 m -59.6 133.94 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -110.88 132.16 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -42.88 148.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.93 167.77 3.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.78 2.99 3.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.95 -14.01 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 59' ' ' LEU . 7.4 tt -134.64 100.48 4.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 57.8 mt -93.31 127.43 38.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.672 HD23 HD13 ' A' ' 70' ' ' LEU . 87.7 mt -97.12 112.05 24.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' ARG . 50.0 mm-40 -95.63 145.47 25.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HG3' ' NH1' ' A' ' 68' ' ' ARG . 7.9 mptt -136.57 125.55 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.585 ' HB3' HG13 ' A' ' 67' ' ' VAL . 3.0 tp10 -100.49 -176.76 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.39 -63.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.645 HG22 ' HA ' ' A' ' 40' ' ' PRO . 3.0 p -124.76 -2.08 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.585 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -120.53 137.78 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' NH1' ' HG3' ' A' ' 63' ' ' LYS . 4.4 mmm180 -99.86 156.09 17.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' GLN . 20.5 mtm180 -147.51 143.87 28.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.672 HD13 HD23 ' A' ' 61' ' ' LEU . 7.8 tp -116.43 111.84 20.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.606 HG22 HG22 ' A' ' 32' ' ' VAL . 86.0 t -108.24 134.23 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.527 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.0 mp -118.07 103.79 49.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.416 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.78 -12.67 33.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.45 105.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.89 170.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -136.93 149.83 47.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.8 mt -52.17 -37.94 56.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.67 -37.1 85.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.03 -34.35 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.8 p -42.28 120.32 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.56 -136.1 2.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -124.73 127.01 46.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -103.21 105.7 16.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.69 111.12 23.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.527 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 42.3 t -94.24 106.83 18.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -104.22 136.55 43.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.799 ' HB ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -106.14 -55.02 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -135.02 -72.55 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -119.6 -17.82 8.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -106.47 167.72 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.5 p -146.76 148.6 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.27 133.27 48.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.5 t -87.58 126.97 35.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -134.16 99.98 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.7 m -81.22 123.21 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.4 t -130.56 105.16 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 88.3 m -102.83 119.88 39.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 99' ' ' THR . 53.2 t -95.51 152.67 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.401 ' N ' HG12 ' A' ' 98' ' ' VAL . 22.2 p -147.53 174.02 12.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -81.27 134.39 52.06 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.662 0.744 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 165.45 30.92 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 165.6 30.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.0 t -105.3 115.75 47.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -130.19 -44.45 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.3 tt -86.68 135.44 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.79 87.11 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -101.88 172.67 6.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.6 m -81.65 -61.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 160.53 81.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.3 57.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 m -102.94 133.89 47.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m -74.42 162.99 28.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -52.33 135.52 32.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.358 . . . . 0.0 110.834 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -107.12 109.15 20.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.13 -67.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.5 p -79.84 170.59 16.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 m -114.22 -60.84 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.26 174.19 31.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.3 p -101.27 96.85 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 111.188 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -71.83 107.1 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.8 p -153.39 149.16 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -55.69 -61.05 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.9 p -165.24 114.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.521 ' HB3' HD13 ' A' ' 87' ' ' ILE . 43.0 m95 -50.01 -53.42 26.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mt -77.37 93.59 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.511 HG12 ' C ' ' A' ' 36' ' ' GLU . 9.5 p -71.58 -19.73 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -173.23 145.37 1.23 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.691 0.758 . . . . 0.0 110.888 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.7 Cg_endo -69.76 169.6 62.57 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.305 -0.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.2 p -105.97 64.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.54 -140.19 9.39 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -100.88 143.48 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -133.75 127.58 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -97.68 139.77 33.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.4 t -141.07 137.47 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.54 140.15 45.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.722 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -134.99 174.44 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.465 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.6 t -135.93 160.8 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -45.33 110.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 mt 68.38 44.38 1.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' CB ' ' H ' ' A' ' 26' ' ' VAL . 4.3 tp10 -97.35 158.08 15.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 1.2 tmt_? -104.39 94.58 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -91.98 161.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 71' ' ' VAL . 91.1 t -141.78 105.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.555 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.0 mp -80.37 138.71 36.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -112.98 113.07 24.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 t -138.52 105.76 5.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.511 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.5 tt0 -95.84 156.55 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.592 HD11 ' CG1' ' A' ' 44' ' ' VAL . 30.4 mt -127.84 164.14 22.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.3 p -88.28 10.58 19.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.594 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.4 mmt180 -150.81 138.68 12.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.536 ' CA ' HG22 ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.69 -50.02 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.752 2.301 . . . . 0.0 112.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.594 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.6 p-90 -83.18 29.44 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -90.24 109.76 20.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.052 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -82.54 133.61 35.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.592 ' CG1' HD11 ' A' ' 37' ' ' LEU . 17.3 m -122.18 169.09 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -146.22 126.31 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 61.2 m95 -90.49 135.29 33.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.7 p -122.01 127.35 50.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 53' ' ' VAL . 8.3 tmtt? -108.38 100.81 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.0 t70 71.27 35.8 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.83 -30.79 7.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -84.15 155.54 22.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -91.79 111.19 22.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 46' ' ' TRP . 17.9 m -51.25 137.99 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 p -113.43 134.81 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -44.09 147.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.454 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.48 167.99 4.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.71 0.767 . . . . 0.0 110.835 -179.752 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.5 Cg_endo -69.8 1.42 4.48 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.262 . . . . 0.0 112.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.68 -12.7 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.749 HD21 HD21 ' A' ' 61' ' ' LEU . 8.3 tt -135.02 103.66 5.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.0 mt -95.47 129.46 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.755 HD23 HD13 ' A' ' 70' ' ' LEU . 85.2 mt -102.38 108.03 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -92.12 146.78 23.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' HG2' ' CZ ' ' A' ' 68' ' ' ARG . 27.7 mtmt -138.8 113.24 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.618 ' CB ' HG13 ' A' ' 67' ' ' VAL . 3.5 tp10 -87.52 -174.59 4.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -60.01 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.536 HG22 ' CA ' ' A' ' 40' ' ' PRO . 21.6 p -126.4 -1.26 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.618 HG13 ' CB ' ' A' ' 64' ' ' GLU . 1.5 p -121.96 139.24 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 4.7 mmm180 -105.69 156.22 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -149.83 141.0 23.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.755 HD13 HD23 ' A' ' 61' ' ' LEU . 8.0 tp -112.03 103.8 12.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 32' ' ' VAL . 79.1 t -99.38 136.66 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD11 ' HG ' ' A' ' 70' ' ' LEU . 6.8 mp -122.41 105.31 36.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.9 Cg_endo -69.71 -12.9 33.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.369 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.78 108.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -106.68 175.0 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -142.72 145.66 33.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.519 HD23 HG12 ' A' ' 98' ' ' VAL . 65.2 mt -47.42 -40.06 17.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -62.35 -39.53 93.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -55.98 -32.04 63.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.402 ' CB ' ' H ' ' A' ' 98' ' ' VAL . 54.0 p -47.86 121.68 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -179.05 -127.13 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -125.88 139.01 53.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -119.54 105.14 10.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.57 112.12 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.573 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 51.8 t -94.03 107.05 19.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -101.39 137.08 40.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.56 ' HB ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -109.12 -57.16 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -135.04 -72.95 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -120.25 -11.7 9.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -113.7 166.49 11.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.4 p -143.99 148.58 35.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.61 134.56 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 t -87.41 124.95 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -134.19 99.92 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.4 m -81.58 126.02 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.0 t -130.27 106.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 92.5 m -109.67 118.37 36.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.722 HG22 ' HB3' ' A' ' 25' ' ' ALA . 67.2 t -97.81 146.61 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.2 p -138.59 176.56 8.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -78.87 135.54 59.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 168.19 22.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.4 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 175.56 7.88 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.5 t -139.46 143.75 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.429 ' HB3' HD12 ' A' ' 105' ' ' ILE . 62.9 ttt180 -117.88 -47.0 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.429 HD12 ' HB3' ' A' ' 104' ' ' ARG . 5.3 mp -93.57 118.52 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.6 mt -109.79 121.22 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -101.51 161.39 13.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.0 t -107.21 120.93 43.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 170.09 137.86 2.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 99.48 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.664 2.243 . . . . 0.0 112.313 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.9 p -101.95 114.6 28.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.4 m -50.86 122.75 7.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.541 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -149.87 163.11 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -150.15 173.9 13.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.52 121.02 5.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -152.04 120.3 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 0.0 110.813 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 m -73.42 149.6 42.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.69 -143.5 14.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.6 p 37.2 41.18 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 111.13 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -53.26 100.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.1 m -76.28 131.8 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.5 m -70.72 -49.75 43.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 13' ' ' TRP . 27.7 m -150.25 114.04 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.558 ' CE3' HD11 ' A' ' 87' ' ' ILE . 47.3 m95 -35.47 -56.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.464 ' CD1' ' C ' ' A' ' 91' ' ' SER . 26.4 mt -74.4 95.57 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.427 HG12 ' C ' ' A' ' 36' ' ' GLU . 14.9 p -72.63 -32.33 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.583 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -158.7 146.03 13.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.684 0.754 . . . . 0.0 110.892 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.0 Cg_endo -69.78 170.48 58.34 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.325 -0.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -103.51 63.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.09 -140.07 9.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -99.12 145.38 27.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.0 t -134.22 122.09 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -94.18 132.95 38.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.6 t -135.4 127.7 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.7 135.6 44.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.624 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -134.61 173.55 11.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.8 t -129.08 155.92 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -44.89 117.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.6 mt 66.97 35.99 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.508 ' H ' HG22 ' A' ' 75' ' ' VAL . 18.9 tp10 -95.52 158.97 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.45 102.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.624 HG11 ' HB2' ' A' ' 25' ' ' ALA . 33.4 m -104.34 163.11 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.932 HG22 HG22 ' A' ' 71' ' ' VAL . 83.6 t -141.72 110.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.646 HD22 HD23 ' A' ' 70' ' ' LEU . 5.5 mp -86.34 141.35 29.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.6 m -112.82 118.13 34.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.6 t -139.67 106.99 5.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.439 ' O ' HD23 ' A' ' 37' ' ' LEU . 9.1 tt0 -95.97 162.01 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.914 HD11 ' CG1' ' A' ' 44' ' ' VAL . 58.7 mt -133.84 155.4 49.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.6 p -80.64 4.13 19.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.593 ' HD3' ' CZ2' ' A' ' 41' ' ' TRP . 1.8 mmp_? -143.64 137.29 14.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.6 0.714 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.917 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.73 -48.86 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.593 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 3.3 p-90 -83.9 27.05 0.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.53 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -90.85 110.01 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -80.86 136.13 36.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.914 ' CG1' HD11 ' A' ' 37' ' ' LEU . 5.0 m -120.63 166.65 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.3 ttm-85 -147.87 126.94 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 46.3 m95 -90.44 138.71 31.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.424 HG22 ' HA ' ' A' ' 52' ' ' GLU . 52.5 p -133.15 132.99 42.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' GLU . 13.2 tttt -102.88 105.56 15.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.22 46.48 10.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.66 -33.07 4.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 48' ' ' LYS . 17.6 mt-10 -78.05 153.02 32.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HA ' HG22 ' A' ' 47' ' ' THR . 13.4 tt0 -93.7 116.24 28.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 46' ' ' TRP . 17.2 m -59.79 138.14 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -113.75 139.79 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -49.0 148.0 2.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.447 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.31 167.66 3.83 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.655 0.741 . . . . 0.0 110.85 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.77 3.51 2.74 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.03 -5.95 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 61' ' ' LEU . 8.4 tt -141.94 105.14 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.6 mt -99.03 127.24 44.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 59' ' ' LEU . 80.6 mt -96.55 110.92 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' ARG . 59.8 mm-40 -92.82 147.55 22.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -143.13 116.96 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -93.61 -174.59 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.8 -64.71 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.917 HG22 ' HA ' ' A' ' 40' ' ' PRO . 2.3 p -123.21 -7.67 8.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.1 p -114.82 132.18 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.3 mmt-85 -99.58 154.54 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.475 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 34.4 mtm180 -144.19 151.49 39.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.646 HD23 HD22 ' A' ' 33' ' ' LEU . 6.0 tp -121.02 103.39 9.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.932 HG22 HG22 ' A' ' 32' ' ' VAL . 78.6 t -101.13 137.14 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.1 mp -120.46 108.94 37.07 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -11.97 31.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.67 107.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.508 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.6 m -103.74 169.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 79' ' ' ASP . 21.1 mm-40 -141.05 147.07 38.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.7 mt -44.6 -33.78 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -67.58 -36.82 81.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 76' ' ' GLN . 5.1 m-20 -55.55 -30.44 60.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.6 p -55.21 121.07 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.56 -123.17 0.78 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -131.88 116.11 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -101.51 108.42 19.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -106.31 120.38 41.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.9 t -100.21 107.17 18.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.72 140.1 34.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.558 HD11 ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -111.97 -58.31 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -135.02 -73.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.39 -11.94 9.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 13' ' ' TRP . 2.9 pt-20 -115.76 168.21 10.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.464 ' C ' ' CD1' ' A' ' 14' ' ' ILE . 60.0 p -144.5 151.79 39.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.3 137.15 41.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.06 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.2 t -89.69 122.95 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -133.4 99.86 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.2 m -82.33 125.42 30.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.7 t -125.67 97.57 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.9 m -97.34 114.52 26.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.462 HG22 ' HB3' ' A' ' 25' ' ' ALA . 40.9 t -100.52 147.19 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 p -140.16 177.7 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.11 136.92 53.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.3 50.2 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -178.73 2.5 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.6 p -66.17 138.37 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -128.32 144.99 51.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 105' ' ' ILE . 3.1 tt -63.19 85.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.2 mm -72.34 122.09 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -117.79 135.08 54.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.9 t -53.24 116.81 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.59 -144.71 3.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.443 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 164.36 34.81 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.646 2.231 . . . . 0.0 112.383 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t 51.27 41.47 27.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.8 p -82.53 132.68 35.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -89.14 88.54 7.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -89.56 100.78 13.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.7 -122.93 0.77 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.447 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -147.25 175.8 10.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.816 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -113.75 -62.48 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.76 77.96 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.554 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.3 p -124.32 146.73 48.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.145 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -111.23 41.45 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.508 HG11 ' HB2' ' A' ' 38' ' ' CYS . 3.8 m -78.34 -33.63 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 t 38.89 30.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' VAL . 1.1 t -174.07 122.94 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.589 ' HB3' HD13 ' A' ' 87' ' ' ILE . 59.9 m95 -58.42 -49.0 78.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.0 mt -73.86 89.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.686 HG12 ' C ' ' A' ' 36' ' ' GLU . 5.5 p -68.68 -22.32 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.614 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -172.5 146.23 1.55 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.679 0.752 . . . . 0.0 110.975 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.752 ' HG3' HG21 ' A' ' 21' ' ' VAL . 53.7 Cg_endo -69.76 169.19 64.52 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.331 -0.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 m -104.44 64.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.64 -139.14 8.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -98.66 146.88 25.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.837 0.351 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.752 HG21 ' HG3' ' A' ' 17' ' ' PRO . 96.8 t -134.3 113.1 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.0 132.16 38.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.57 138.0 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.37 117.73 31.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -118.39 176.44 5.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 t -130.05 158.89 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -48.48 116.26 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt 69.41 37.1 2.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' H ' HG22 ' A' ' 75' ' ' VAL . 18.1 tp10 -98.8 157.24 16.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.458 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 1.9 tmt_? -101.31 108.83 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.488 HG11 ' HB2' ' A' ' 25' ' ' ALA . 17.7 m -110.14 159.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.829 HG22 HG22 ' A' ' 71' ' ' VAL . 95.1 t -140.05 105.54 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.625 HD22 HD23 ' A' ' 70' ' ' LEU . 4.5 mp -79.64 140.93 36.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 m -113.9 115.22 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.421 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.7 t -138.4 106.02 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.686 ' C ' HG12 ' A' ' 15' ' ' VAL . 10.7 tt0 -95.7 152.04 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.576 HD21 HG11 ' A' ' 44' ' ' VAL . 44.2 mt -119.99 171.38 8.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.508 ' HB2' HG11 ' A' ' 10' ' ' VAL . 27.2 p -94.81 14.25 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 1.016 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 27.8 mmm180 -151.37 147.99 21.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.787 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.7 Cg_endo -69.78 -51.72 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 -87.42 17.47 4.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 1.016 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -72.11 109.7 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -85.21 153.97 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.576 HG11 HD21 ' A' ' 37' ' ' LEU . 23.6 m -139.36 170.29 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -144.04 125.79 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.466 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 48.4 m95 -92.62 134.4 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.6 p -127.77 139.96 52.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -110.17 94.29 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 t70 74.23 28.31 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.84 -33.1 6.75 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -78.9 151.67 31.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -91.66 120.63 32.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -63.35 141.88 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' GLU . 13.3 p -117.42 128.83 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.7 mt-10 -37.84 146.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.464 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.15 168.42 4.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.881 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.74 3.44 2.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.4 -3.13 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 59' ' ' LEU . 6.8 tt -145.13 105.12 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 70' ' ' LEU . 78.0 mt -98.06 133.3 42.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.599 HD23 HD13 ' A' ' 70' ' ' LEU . 64.7 mt -104.25 111.04 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -95.91 146.32 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -138.46 112.04 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.709 ' HB3' HG13 ' A' ' 67' ' ' VAL . 3.6 tt0 -86.64 -174.74 5.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -70.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.787 HG22 ' HA ' ' A' ' 40' ' ' PRO . 2.4 p -114.26 1.78 14.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.709 HG13 ' HB3' ' A' ' 64' ' ' GLU . 1.8 p -127.31 146.37 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.4 mmt-85 -111.62 155.8 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -147.24 150.27 34.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.625 HD23 HD22 ' A' ' 33' ' ' LEU . 5.4 tp -122.64 105.38 10.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.829 HG22 HG22 ' A' ' 32' ' ' VAL . 75.5 t -98.85 141.45 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.433 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.2 mp -124.24 106.47 30.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.587 0.708 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.78 -13.63 34.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.36 107.56 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.46 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.4 m -105.02 163.0 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -136.0 146.29 47.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.725 HD23 HG12 ' A' ' 98' ' ' VAL . 40.9 mt -43.91 -37.77 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -62.26 -38.95 91.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.14 -29.94 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.4 p -54.44 114.75 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.96 -124.63 0.73 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -133.62 104.03 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -85.75 109.89 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.91 113.93 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.466 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 36.2 t -92.92 107.15 19.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -102.97 135.2 45.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.589 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -105.28 -77.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.577 ' H ' HG23 ' A' ' 87' ' ' ILE . 1.5 t70 -116.37 -68.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -126.21 -0.16 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -118.0 169.06 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.6 p -147.36 145.11 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -106.32 135.55 47.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 t -88.64 124.49 34.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -134.81 99.75 4.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.5 m -84.99 125.62 32.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.1 t -128.73 92.4 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.6 m -88.18 126.91 35.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.725 HG12 HD23 ' A' ' 77' ' ' LEU . 75.9 t -108.67 136.0 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 p -127.6 171.45 11.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -74.42 130.04 82.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.672 0.749 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 168.78 20.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.743 2.295 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 168.71 20.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.372 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 p -81.18 132.55 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -125.48 146.93 49.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.449 ' O ' ' CG2' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -39.57 127.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.5 mt -92.33 89.19 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -65.35 -63.03 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.9 m -87.75 159.02 18.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -67.06 -179.94 12.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 158.68 56.18 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.74 2.294 . . . . 0.0 112.364 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.5 m -129.92 176.63 7.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.3 m -41.15 152.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.3 p -135.43 149.45 49.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -92.14 144.87 24.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.71 139.23 7.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -84.04 145.34 28.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.814 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -65.48 165.4 12.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.65 132.33 51.81 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 p -119.1 93.61 4.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.128 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -100.5 101.21 12.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 p -151.97 145.64 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.2 p -74.78 -46.23 38.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.5 m -162.11 119.31 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.696 ' HB3' HD13 ' A' ' 87' ' ' ILE . 31.7 m95 -66.67 -54.81 19.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.7 mt -68.5 91.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.522 HG12 ' C ' ' A' ' 36' ' ' GLU . 7.1 p -72.06 -18.24 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.563 ' HA ' ' C ' ' A' ' 17' ' ' PRO . 1.1 t80 -173.85 144.46 1.04 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.667 0.746 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.74 166.2 74.61 Favored 'Cis proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.357 -0.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -100.61 63.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.39 -156.86 26.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -84.49 143.85 29.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.8 t -131.74 136.52 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -106.6 136.08 47.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.7 t -138.22 130.26 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.5 143.25 32.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -142.89 176.6 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.475 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.6 t -134.61 158.12 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -43.88 116.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 mt 64.17 38.94 7.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.475 ' CB ' ' H ' ' A' ' 26' ' ' VAL . 11.1 tp10 -93.51 162.23 14.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -105.23 95.79 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.483 HG11 ' HB2' ' A' ' 25' ' ' ALA . 17.2 m -96.23 157.77 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 71' ' ' VAL . 97.6 t -140.09 110.58 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.654 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.3 mp -86.88 149.38 24.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.0 m -124.8 122.63 37.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.6 t -142.75 109.9 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.522 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.5 tt0 -96.02 154.4 17.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD13 ' HB3' ' A' ' 42' ' ' ALA . 22.3 mt -124.34 154.48 40.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.3 p -70.65 -12.69 61.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -138.16 145.13 46.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.561 0.696 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.862 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.73 -45.97 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 -82.3 34.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HB3' HD13 ' A' ' 37' ' ' LEU . . . -98.26 111.27 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -81.68 141.48 33.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.04 173.85 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -155.03 127.07 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.654 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 66.1 m95 -89.71 137.47 32.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.8 p -131.09 132.55 44.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' GLU . 13.4 tttt -104.34 105.46 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.6 t70 63.7 44.03 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.13 -31.25 5.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 48' ' ' LYS . 13.8 mt-10 -80.56 156.43 26.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -95.5 123.02 38.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 46' ' ' TRP . 19.7 m -62.88 143.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 54' ' ' VAL . 13.8 p -118.91 125.78 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.9 mt-10 -35.69 143.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.457 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -166.73 168.1 7.38 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.647 0.737 . . . . 0.0 110.88 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.457 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.3 Cg_endo -69.81 2.65 3.37 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.236 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.51 -6.33 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 61' ' ' LEU . 8.0 tt -140.85 104.98 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.9 mt -98.82 126.53 44.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 59' ' ' LEU . 67.9 mt -97.07 114.41 26.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -98.79 160.87 13.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -150.34 111.91 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.695 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.3 tp10 -91.8 176.7 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' GLU . 7.8 m-20 -34.84 -73.03 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.862 HG22 ' HA ' ' A' ' 40' ' ' PRO . 0.8 OUTLIER -121.67 7.01 9.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.695 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -127.41 126.07 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 80.5 mmt-85 -92.81 150.17 20.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -139.82 148.37 42.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.529 HD13 HD23 ' A' ' 61' ' ' LEU . 4.1 tp -118.99 101.91 8.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 32' ' ' VAL . 77.9 t -95.98 137.35 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.434 ' HB2' HG22 ' A' ' 31' ' ' VAL . 7.2 mp -121.95 105.77 37.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.595 0.712 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.75 -12.54 33.12 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.33 105.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.19 171.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 79' ' ' ASP . 29.0 mm-40 -139.63 144.5 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.456 HD23 HG12 ' A' ' 98' ' ' VAL . 90.6 mt -43.87 -31.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -33.38 59.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' GLN . 10.2 t0 -57.45 -26.96 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.625 ' HB3' HG23 ' A' ' 98' ' ' VAL . 54.2 p -65.61 120.97 13.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.31 -120.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -131.77 101.3 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -87.45 109.7 19.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -107.44 117.47 34.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.515 ' SG ' ' CE2' ' A' ' 46' ' ' TRP . 5.1 t -98.01 106.82 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -94.73 152.31 18.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.748 HG23 ' H ' ' A' ' 88' ' ' ASP . 1.6 tt -126.39 -63.34 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.748 ' H ' HG23 ' A' ' 87' ' ' ILE . 6.6 t0 -134.19 -72.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -16.31 8.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -108.83 167.68 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.0 p -141.46 146.23 36.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.77 127.04 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -86.77 126.69 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -134.53 99.87 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.3 m -80.3 128.76 33.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.65 101.5 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 96.5 m -97.93 124.32 42.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.625 HG23 ' HB3' ' A' ' 80' ' ' SER . 26.9 t -110.68 135.89 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.5 p -129.59 174.15 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -78.07 136.18 61.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 166.01 29.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -179.1 2.65 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.743 2.295 . . . . 0.0 112.306 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.63 133.72 31.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.155 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 105' ' ' ILE . 20.5 mmm-85 -147.39 169.87 18.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 104' ' ' ARG . 4.0 pt -36.11 134.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.6 mt -105.65 95.7 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -62.34 158.35 17.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -114.1 133.46 55.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.817 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.62 97.57 0.15 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 123.89 10.53 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.721 2.28 . . . . 0.0 112.298 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.0 t -164.4 144.22 7.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.2 t -149.74 131.74 15.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -68.39 165.3 19.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.83 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -98.6 -45.32 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.89 144.23 5.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -131.59 100.73 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.913 0.387 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -98.42 133.24 43.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.67 43.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.467 HG21 ' HH2' ' A' ' 41' ' ' TRP . 40.4 p -141.07 133.74 28.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.111 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.81 86.6 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.77 134.96 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -95.22 -58.42 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.8 p -125.28 95.87 4.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.476 ' HB3' HG21 ' A' ' 87' ' ' ILE . 56.5 m95 -43.29 -58.34 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.6 mt -67.52 94.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.91 -26.33 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -165.12 145.79 6.04 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.669 0.747 . . . . 0.0 110.95 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.6 Cg_endo -69.76 169.57 62.7 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 -0.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 t -106.53 64.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.56 -145.31 14.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -96.01 144.7 26.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -134.58 135.53 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -106.35 138.66 42.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.3 t -140.85 118.85 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.92 132.04 38.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.894 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -128.56 177.07 7.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.404 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.6 t -136.27 157.04 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -43.03 113.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt 66.14 45.15 2.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 3.9 tp10 -100.96 157.54 16.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.467 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.66 101.96 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.4 m -100.11 161.17 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.653 HG22 HG22 ' A' ' 71' ' ' VAL . 94.2 t -140.56 105.08 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.594 HD22 HD23 ' A' ' 70' ' ' LEU . 5.4 mp -81.97 138.82 34.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.1 m -112.1 117.55 32.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.443 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.9 t -140.96 106.92 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.556 ' O ' HD23 ' A' ' 37' ' ' LEU . 10.2 tt0 -95.64 163.59 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 36' ' ' GLU . 57.4 mt -134.92 159.39 41.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 t -86.36 9.25 18.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 47.3 mmt-85 -146.14 138.59 13.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 0.0 110.871 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.827 ' HA ' HG22 ' A' ' 66' ' ' THR . 54.1 Cg_endo -69.66 -49.43 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.8 p-90 -86.69 31.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -92.76 114.92 27.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.67 139.73 30.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.622 HG12 ' HB ' ' A' ' 87' ' ' ILE . 16.3 m -124.3 171.95 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -146.14 125.06 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 60.8 m95 -88.98 133.46 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.2 p -122.55 126.76 48.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HB2' ' CG1' ' A' ' 53' ' ' VAL . 7.1 tmtt? -108.01 98.56 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 t0 74.95 25.03 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.49 -33.62 6.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 6.8 pt-20 -82.75 146.49 28.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.87 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -81.69 110.8 17.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 48' ' ' LYS . 32.2 m -51.62 134.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.3 p -110.59 135.25 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -42.07 150.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.419 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -172.1 166.14 3.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.676 0.751 . . . . 0.0 110.889 -179.787 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.76 4.69 2.05 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.722 2.281 . . . . 0.0 112.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.76 -11.31 7.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.77 HD21 HD21 ' A' ' 61' ' ' LEU . 8.1 tt -134.96 100.27 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.9 mt -91.88 129.55 37.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.77 HD21 HD21 ' A' ' 59' ' ' LEU . 86.2 mt -103.08 110.45 22.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -92.57 148.18 22.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -139.27 111.95 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.681 ' CB ' HG13 ' A' ' 67' ' ' VAL . 1.7 tp10 -86.29 -176.05 5.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -53.55 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.827 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.1 p -119.67 1.59 11.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.681 HG13 ' CB ' ' A' ' 64' ' ' GLU . 2.0 p -126.92 147.8 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.8 mmt-85 -111.14 156.4 21.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 mtm105 -149.15 144.94 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.71 HD13 HD23 ' A' ' 61' ' ' LEU . 7.3 tp -117.4 108.67 15.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.653 HG22 HG22 ' A' ' 32' ' ' VAL . 76.6 t -104.55 134.84 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 7.4 mp -120.68 104.97 41.62 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.648 0.737 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.71 -10.84 29.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.99 106.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.71 173.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -139.8 146.07 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.2 mt -46.71 -28.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -77.99 -37.14 47.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.92 -32.53 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.402 ' CB ' ' H ' ' A' ' 98' ' ' VAL . 52.3 p -59.22 119.46 7.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -168.4 -122.71 0.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -128.2 102.62 6.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -88.16 107.51 18.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -106.55 115.46 30.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.567 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 49.4 t -95.96 107.36 19.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -102.4 138.01 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.622 ' HB ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -109.65 -56.62 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -135.01 -72.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -118.59 -23.93 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 1.2 pm0 -100.64 169.96 8.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 p -146.9 148.49 31.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.58 129.02 50.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -86.07 121.92 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -130.38 100.38 5.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.0 m -80.93 127.29 32.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.23 96.68 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 97.6 m -98.77 114.37 26.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.894 HG22 ' HB3' ' A' ' 25' ' ' ALA . 37.0 t -103.26 141.79 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.8 p -133.08 177.54 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -77.09 134.21 68.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.653 0.739 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 162.66 41.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 177.16 5.84 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.0 p -80.91 129.1 38.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 105' ' ' ILE . 21.4 ptt85 -160.34 118.49 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 105' ' ' ILE . 2.7 mp 34.01 53.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 106' ' ' ILE . 1.6 tp -84.75 95.1 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' ILE . 52.2 t80 -34.7 -52.18 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.1 m -40.32 121.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.49 -157.31 9.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 152.48 69.02 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.639 2.226 . . . . 0.0 112.313 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m -142.56 130.95 22.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' GLY . 1.0 OUTLIER -164.0 148.59 10.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 -179.771 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t -93.63 117.05 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -121.3 123.57 42.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.2 97.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.456 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m -157.5 130.35 7.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -37.5 104.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.27 -41.4 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.8 p -101.48 132.28 47.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 111.132 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -98.35 89.66 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.562 HG11 ' CE2' ' A' ' 13' ' ' TRP . 8.3 p -118.58 143.77 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.7 p -83.09 -59.92 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.8 p -133.24 114.43 13.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.76 ' HB3' HD13 ' A' ' 87' ' ' ILE . 45.6 m95 -59.61 -53.0 63.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.401 HG21 ' HB2' ' A' ' 92' ' ' ALA . 12.0 mt -72.51 95.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 36' ' ' GLU . 14.5 p -73.67 -29.8 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -159.51 146.15 12.44 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.722 0.772 . . . . 0.0 110.884 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.705 ' HG3' HG21 ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.74 169.13 64.78 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.337 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.6 m -104.3 64.22 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.77 -138.05 7.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -100.62 146.11 27.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.705 HG21 ' HG3' ' A' ' 17' ' ' PRO . 87.8 t -133.69 113.0 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -94.48 130.53 40.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.22 138.03 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.8 118.93 35.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.567 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -119.39 176.18 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -131.86 157.38 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -46.38 115.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt 68.9 38.34 2.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.501 ' H ' HG22 ' A' ' 75' ' ' VAL . 4.1 tp10 -99.25 157.77 16.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -102.35 105.64 16.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.567 HG11 ' HB2' ' A' ' 25' ' ' ALA . 28.0 m -107.73 159.89 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.888 HG22 HG22 ' A' ' 71' ' ' VAL . 84.0 t -141.22 108.67 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.694 HD22 HD23 ' A' ' 70' ' ' LEU . 4.7 mp -82.48 144.56 30.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -117.2 119.36 34.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.422 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.1 t -142.46 106.51 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 15' ' ' VAL . 13.6 tt0 -95.76 158.72 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.685 HD11 HG13 ' A' ' 44' ' ' VAL . 33.2 mt -128.96 158.24 39.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.4 t -83.41 6.87 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 23.0 mmt180 -144.85 140.61 16.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.847 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.71 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.578 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.3 p-90 -83.34 31.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -92.6 110.44 21.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -88.24 128.8 35.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.685 HG13 HD11 ' A' ' 37' ' ' LEU . 25.1 m -111.36 167.92 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -146.96 124.87 11.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.582 ' O ' HG22 ' A' ' 53' ' ' VAL . 47.2 m95 -89.56 135.3 33.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.6 p -130.28 132.51 45.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 51' ' ' GLU . 10.9 tttt -102.1 104.02 14.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.44 43.63 7.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.19 -32.25 5.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 48' ' ' LYS . 37.4 mm-40 -78.81 152.42 31.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.64 117.76 30.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 46' ' ' TRP . 30.0 m -57.6 144.54 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -116.06 138.71 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.63 146.56 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.484 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -171.01 169.03 3.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.861 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.72 0.42 5.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.69 -14.03 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.722 HD21 HD21 ' A' ' 61' ' ' LEU . 8.3 tt -134.99 101.9 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.5 mt -95.62 129.72 42.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.722 HD21 HD21 ' A' ' 59' ' ' LEU . 79.4 mt -101.47 109.75 21.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -94.04 146.27 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -136.78 112.71 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.689 ' HB3' HG13 ' A' ' 67' ' ' VAL . 2.5 tp10 -87.77 -177.72 5.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -50.09 -67.41 0.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.847 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.2 p -117.89 1.61 12.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.689 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -126.48 147.43 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.3 mmt-85 -110.63 156.08 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -147.0 148.16 31.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.694 HD23 HD22 ' A' ' 33' ' ' LEU . 5.5 tp -121.56 102.18 8.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.888 HG22 HG22 ' A' ' 32' ' ' VAL . 76.2 t -98.29 141.59 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.0 mp -124.72 106.07 29.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.74 -12.0 32.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.302 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.73 108.23 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.501 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.4 m -106.06 167.65 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -141.62 150.52 42.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.1 mt -44.6 -34.83 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.54 -37.57 82.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -28.19 54.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.6 p -58.88 126.85 29.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.84 -132.07 1.68 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -125.78 101.11 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -86.09 110.69 19.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -109.6 118.12 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.3 t -92.96 107.47 19.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -100.72 131.16 46.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.76 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -106.87 -75.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.588 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 2.5 t70 -116.03 -71.29 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.32 -17.64 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -105.19 168.75 8.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.0 p -144.82 149.98 36.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.401 ' HB2' HG21 ' A' ' 14' ' ' ILE . . . -104.73 135.62 45.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.6 t -88.91 119.28 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -130.02 99.7 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.0 m -82.49 124.72 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.0 t -125.02 100.42 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 90.1 m -98.96 117.48 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 25' ' ' ALA . 65.7 t -105.73 138.14 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 32.9 p -132.92 179.56 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -79.86 135.5 55.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 167.97 22.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.236 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.406 ' O ' ' CG1' ' A' ' 105' ' ' ILE . 54.1 Cg_endo -69.75 168.69 20.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.735 HG22 ' H ' ' A' ' 104' ' ' ARG . 1.4 p -93.36 -178.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.735 ' H ' HG22 ' A' ' 103' ' ' VAL . 8.9 ptp180 45.7 38.53 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 102' ' ' PRO . 2.4 pp -133.02 23.86 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 50.1 mt -72.59 110.58 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -50.44 152.77 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.9 t -101.05 90.31 4.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -126.26 -168.72 12.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.91 23.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.2 t -123.24 124.94 44.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.6 t -112.78 144.86 41.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -128.9 80.9 2.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 62.49 42.23 8.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.17 -83.62 0.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m -131.55 168.24 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.9 m -162.66 113.35 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.06 -42.33 0.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 6' ' ' SER . 38.3 p 41.15 39.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.117 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.45 114.3 25.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 11' ' ' SER . 11.0 p -159.04 155.1 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.405 ' N ' HG22 ' A' ' 10' ' ' VAL . 36.3 t -61.8 -63.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.7 p -125.68 113.66 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.449 ' HB3' HG21 ' A' ' 87' ' ' ILE . 55.0 m95 -64.16 -52.41 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 mt -72.44 99.73 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 36' ' ' GLU . 12.7 p -76.04 -24.93 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -168.32 145.65 3.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.675 0.75 . . . . 0.0 110.927 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.4 Cg_endo -69.78 165.2 77.32 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.332 -0.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.6 t -102.53 63.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.02 -148.48 20.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -93.18 148.89 21.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.2 t -135.11 141.35 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -110.19 138.38 46.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.42 122.5 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.35 123.67 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -124.13 175.89 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -131.28 163.7 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 -50.72 118.82 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt 65.36 38.67 5.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 9.3 tp10 -100.29 158.92 15.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -103.75 119.17 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG2' HD13 ' A' ' 72' ' ' LEU . 29.6 m -115.16 165.67 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 71' ' ' VAL . 93.2 t -144.26 105.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.617 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.2 mp -82.4 140.67 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.6 m -113.82 113.28 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.66 107.07 6.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' O ' HG12 ' A' ' 15' ' ' VAL . 11.5 tt0 -95.85 157.35 15.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.717 HD11 ' CG1' ' A' ' 44' ' ' VAL . 63.8 mt -129.01 156.73 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.1 p -85.08 10.32 12.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.521 ' CD ' ' CZ2' ' A' ' 41' ' ' TRP . 8.9 mmp_? -147.98 136.2 11.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' CA ' HG22 ' A' ' 66' ' ' THR . 53.7 Cg_endo -69.73 -46.97 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.521 ' CZ2' ' CD ' ' A' ' 39' ' ' ARG . 2.0 p-90 -86.35 31.12 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.94 116.91 31.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -88.0 148.18 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.717 ' CG1' HD11 ' A' ' 37' ' ' LEU . 12.3 m -129.3 160.25 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.186 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -139.37 121.46 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.617 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 51.7 m95 -89.95 131.7 35.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.2 p -122.72 128.99 51.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -103.0 95.76 6.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.2 t70 71.13 38.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.52 -31.16 7.01 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.1 143.79 33.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.323 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -83.38 109.94 17.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 m -50.97 136.69 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 p -115.95 132.98 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -42.63 147.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.467 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -171.56 168.43 3.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.729 0.776 . . . . 0.0 110.829 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.1 Cg_endo -69.78 2.25 3.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.14 -12.71 9.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 61' ' ' LEU . 8.1 tt -135.55 105.05 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 64.4 mt -97.95 126.86 43.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.747 HD23 HD13 ' A' ' 70' ' ' LEU . 79.6 mt -98.83 110.62 23.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' ARG . 63.0 mm-40 -93.01 147.31 22.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -139.47 120.15 14.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.663 ' HB3' HG13 ' A' ' 67' ' ' VAL . 2.3 tt0 -99.57 -174.35 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -49.57 -71.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.404 HG22 ' CA ' ' A' ' 40' ' ' PRO . 7.7 p -116.44 1.93 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.663 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.0 p -125.91 142.14 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.5 mmt-85 -111.14 156.24 21.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' GLN . 32.8 mtm180 -147.3 148.5 31.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.747 HD13 HD23 ' A' ' 61' ' ' LEU . 4.9 tp -121.56 108.83 14.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 32' ' ' VAL . 89.5 t -104.06 137.35 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.9 mp -118.5 102.31 50.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.649 0.737 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.41 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 53.2 Cg_endo -69.8 -9.12 25.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.52 105.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -102.18 171.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -139.06 144.07 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.7 mt -47.03 -36.94 8.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -67.66 -38.29 83.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.04 -37.11 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.7 p -46.46 114.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.55 -131.28 1.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -121.99 106.78 11.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -89.17 108.34 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -108.58 120.97 44.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.514 ' SG ' ' CE2' ' A' ' 46' ' ' TRP . 13.0 t -101.1 107.07 18.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -102.07 137.44 40.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.449 HG21 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.06 -55.98 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -134.98 -72.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -119.75 -16.17 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 1.3 pm0 -108.36 169.7 8.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.2 p -147.0 149.27 32.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.29 130.99 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.2 t -85.79 125.51 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -133.98 100.52 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.3 m -81.5 121.0 25.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.9 t -128.36 99.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 96.1 m -103.2 117.66 35.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 25' ' ' ALA . 58.6 t -98.94 148.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 45.2 p -139.91 178.6 7.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -81.87 135.14 48.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.662 0.744 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 165.26 31.51 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -180.0 3.31 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.6 t -110.73 129.84 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.444 ' HB2' ' NH1' ' A' ' 104' ' ' ARG . 22.3 mtm105 -133.45 -45.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 63.9 mt -90.65 113.91 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 18.7 mt -92.63 121.04 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 72.88 54.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.2 m -42.17 -59.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 156.58 167.9 18.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 90.29 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 m -121.95 155.59 35.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 m -136.5 119.11 15.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -90.21 176.39 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -149.76 153.41 36.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.4 168.92 40.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -127.8 154.84 44.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 p -169.32 120.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.36 166.73 11.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.1 m -117.83 126.91 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 111.155 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -119.9 45.48 2.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.47 HG11 ' CZ2' ' A' ' 13' ' ' TRP . 9.6 p -160.19 145.98 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.6 p -70.98 171.51 10.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.6 m -42.49 104.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.525 ' HB3' HG21 ' A' ' 87' ' ' ILE . 20.7 m95 -44.47 -59.65 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 mt -72.94 90.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.572 HG12 ' C ' ' A' ' 36' ' ' GLU . 9.9 p -71.15 -20.1 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -171.01 145.76 1.98 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.702 0.763 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.3 Cg_endo -69.8 166.07 75.1 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.344 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -99.74 63.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.49 -151.04 22.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -88.45 146.96 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.81 135.41 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.46 140.2 38.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.01 129.57 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.9 125.95 51.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.403 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -126.06 177.0 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 t -132.72 154.66 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -43.42 118.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt 64.49 39.5 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.482 ' H ' HG22 ' A' ' 75' ' ' VAL . 15.8 tp10 -98.72 159.73 14.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.07 104.25 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.487 ' CG2' HD13 ' A' ' 72' ' ' LEU . 32.8 m -102.96 162.21 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.751 HG22 HG22 ' A' ' 71' ' ' VAL . 93.4 t -142.52 106.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.627 HD22 HD23 ' A' ' 70' ' ' LEU . 5.8 mp -86.2 144.07 27.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.5 m -116.81 123.06 46.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.45 ' C ' HG23 ' A' ' 67' ' ' VAL . 4.4 t -142.45 106.11 4.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.572 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.7 tt0 -95.9 152.59 18.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.8 mt -125.11 156.28 38.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 t -70.92 -18.1 62.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -130.77 144.46 53.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.862 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.9 Cg_endo -69.74 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -82.68 37.35 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.09 113.19 24.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -80.99 134.74 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.644 HG12 ' HB ' ' A' ' 87' ' ' ILE . 15.8 m -129.38 173.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.475 ' NE ' ' HB2' ' A' ' 52' ' ' GLU . 17.0 ttt180 -151.76 132.04 13.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.714 ' O ' HG22 ' A' ' 53' ' ' VAL . 64.7 m95 -93.28 131.26 38.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.4 p -121.82 134.87 54.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -112.78 95.63 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 74.99 30.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.8 -33.67 6.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.49 151.75 30.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.475 ' HB2' ' NE ' ' A' ' 45' ' ' ARG . 62.7 tt0 -91.85 111.82 23.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 46' ' ' TRP . 17.3 m -52.7 141.34 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.7 p -117.3 134.59 60.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -43.06 148.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.466 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -172.99 168.44 2.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.901 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.466 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.2 Cg_endo -69.69 2.67 3.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.65 2.234 . . . . 0.0 112.36 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.05 -13.8 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.699 HD21 HD21 ' A' ' 61' ' ' LEU . 7.7 tt -135.07 103.85 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.3 mt -95.48 129.57 42.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.699 HD21 HD21 ' A' ' 59' ' ' LEU . 84.2 mt -102.26 108.44 19.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' ARG . 91.0 mm-40 -93.68 154.02 18.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -140.4 116.32 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.586 ' HB3' HG13 ' A' ' 67' ' ' VAL . 5.4 tt0 -93.09 -177.86 4.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.58 -59.1 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.862 HG22 ' HA ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -134.6 5.55 3.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.586 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.3 p -126.62 118.79 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -82.35 143.7 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 62' ' ' GLN . 38.1 mtm180 -131.17 141.16 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.627 HD23 HD22 ' A' ' 33' ' ' LEU . 6.4 tp -115.73 100.01 7.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.751 HG22 HG22 ' A' ' 32' ' ' VAL . 78.6 t -98.49 136.89 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.487 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -120.1 108.27 38.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -10.5 28.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.24 106.54 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.156 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.482 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.8 m -101.22 174.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -142.63 145.98 34.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.607 HD23 HG12 ' A' ' 98' ' ' VAL . 62.6 mt -47.4 -36.47 9.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.4 -37.76 80.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -55.69 -33.45 64.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.9 p -56.4 114.8 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -163.16 -118.24 0.44 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -132.83 99.9 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -85.19 107.12 17.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -107.73 116.26 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.42 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 18.2 t -95.12 107.22 19.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -101.38 140.48 35.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.644 ' HB ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -112.43 -60.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.41 ' H ' HG23 ' A' ' 87' ' ' ILE . 1.2 t70 -134.96 -72.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -119.89 -9.38 9.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -112.43 168.02 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.5 p -147.19 142.92 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.72 128.07 51.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.8 t -85.95 125.3 33.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -131.56 99.97 4.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.3 m -80.43 124.45 28.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.2 t -128.49 92.49 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.5 m -91.05 122.79 34.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.607 HG12 HD23 ' A' ' 77' ' ' LEU . 61.9 t -105.07 143.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.3 p -133.29 173.51 11.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -75.38 132.84 75.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 162.91 40.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.242 . . . . 0.0 112.35 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -178.88 2.58 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.225 . . . . 0.0 112.335 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.59 134.21 44.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -119.58 -58.78 1.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.5 tt -77.02 82.73 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 107' ' ' TYR . 27.9 mt -67.72 -44.82 85.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.448 ' C ' ' O ' ' A' ' 106' ' ' ILE . 8.9 t80 -34.45 -44.16 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.9 t -120.8 152.27 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -121.33 152.36 16.83 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 120.87 7.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.739 2.293 . . . . 0.0 112.328 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.4 p -47.74 144.13 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.5 t -46.69 -52.78 13.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -44.96 125.53 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.856 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -56.33 171.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -82.37 -87.26 0.73 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 27.9 t -37.39 -55.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 p -174.1 140.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.42 -137.51 2.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 m -89.61 93.31 9.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.761 0.315 . . . . 0.0 111.137 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -109.17 107.84 18.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.7 174.55 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 t -86.8 -53.3 5.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 p -143.33 115.92 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.702 ' HB3' HD13 ' A' ' 87' ' ' ILE . 56.5 m95 -66.33 -52.98 41.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.418 ' CD1' ' C ' ' A' ' 91' ' ' SER . 15.5 mt -71.19 102.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.424 HG12 ' C ' ' A' ' 36' ' ' GLU . 11.1 p -79.34 -28.95 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -160.3 146.42 11.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.655 0.741 . . . . 0.0 110.963 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.9 Cg_endo -69.8 164.77 78.5 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.36 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -100.65 63.31 1.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.29 -153.27 25.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -91.0 143.63 26.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -130.73 129.02 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -100.04 135.29 41.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.1 t -139.78 132.13 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.27 127.4 54.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -123.86 176.99 5.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.449 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.5 t -138.18 158.03 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -42.71 111.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 mt 67.69 45.36 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' CB ' ' H ' ' A' ' 26' ' ' VAL . 30.8 tp10 -100.37 160.18 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -102.26 101.56 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.461 ' CG2' HD13 ' A' ' 72' ' ' LEU . 19.2 m -100.0 157.76 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -139.94 105.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mp -89.68 131.92 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.2 m -107.54 119.41 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.446 ' C ' HG23 ' A' ' 67' ' ' VAL . 2.6 t -137.89 108.77 6.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.9 tt0 -96.19 161.32 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.785 HD11 ' CG1' ' A' ' 44' ' ' VAL . 35.4 mt -134.05 154.29 51.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.0 p -79.22 2.98 19.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.3 mmt180 -142.34 138.0 16.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.906 ' HA ' HG22 ' A' ' 66' ' ' THR . 54.0 Cg_endo -69.75 -50.43 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.296 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.6 p-90 -84.15 30.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.82 114.05 26.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -80.93 138.24 36.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.785 ' CG1' HD11 ' A' ' 37' ' ' LEU . 5.5 m -123.27 166.79 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.443 ' NH1' ' OE1' ' A' ' 52' ' ' GLU . 54.1 ttm-85 -150.48 126.65 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -92.65 141.77 28.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.3 p -136.08 130.63 33.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -106.43 100.53 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.2 t0 74.09 25.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.96 -33.87 6.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -80.97 147.0 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' OE1' ' NH1' ' A' ' 45' ' ' ARG . 8.6 tt0 -82.94 125.04 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 m -64.88 135.33 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.0 141.22 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -48.19 148.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.533 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 1.1 p -171.52 166.71 4.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 54.2 Cg_endo -69.78 4.31 2.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.627 2.218 . . . . 0.0 112.382 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -123.68 -4.11 8.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.71 HD21 HD21 ' A' ' 61' ' ' LEU . 8.1 tt -143.39 104.97 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 mt -99.79 126.3 45.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.71 HD21 HD21 ' A' ' 59' ' ' LEU . 76.5 mt -95.21 112.75 24.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -101.39 151.07 22.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -139.65 119.74 13.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.67 ' HB3' HG13 ' A' ' 67' ' ' VAL . 2.1 tp10 -94.23 179.44 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -38.82 -65.83 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.906 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.0 OUTLIER -127.96 4.69 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.67 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.2 p -125.25 123.65 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -86.96 148.76 25.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -138.19 142.34 40.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.623 HD13 HD23 ' A' ' 61' ' ' LEU . 5.8 tp -115.44 107.16 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.5 t -104.28 137.35 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.0 mp -123.17 105.38 34.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.72 -14.49 36.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.565 ' O ' ' HB1' ' A' ' 58' ' ' ALA . . . -160.56 105.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.42 HG12 ' HB3' ' A' ' 72' ' ' LEU . 1.2 m -101.92 178.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.41 ' N ' HG23 ' A' ' 75' ' ' VAL . 28.9 mm-40 -149.16 156.03 41.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.683 HD23 HG12 ' A' ' 98' ' ' VAL . 28.8 mt -53.79 -30.27 44.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -79.32 -25.03 42.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -78.31 5.54 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 t -95.98 154.51 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 154.66 -117.83 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -129.4 106.09 8.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -87.84 107.03 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -104.76 122.87 46.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 21.3 t -101.25 107.44 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -101.22 134.86 43.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.702 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -109.55 -58.63 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.554 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 5.6 t0 -135.01 -72.23 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -118.64 -24.13 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -101.94 169.55 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.418 ' C ' ' CD1' ' A' ' 14' ' ' ILE . 57.9 p -144.46 151.09 38.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -103.53 136.7 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.1 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 t -92.3 122.97 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -135.01 100.19 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.8 m -81.76 120.5 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.0 t -128.59 94.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 97.3 m -91.7 122.86 34.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.683 HG12 HD23 ' A' ' 77' ' ' LEU . 72.5 t -104.54 142.95 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.9 p -141.11 173.66 11.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -76.25 134.47 70.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.74 40.92 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 173.15 11.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.5 p -83.85 131.68 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.426 ' C ' HD13 ' A' ' 105' ' ' ILE . 57.4 mtm180 -133.96 -74.95 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.426 HD13 ' C ' ' A' ' 104' ' ' ARG . 8.6 mm -115.46 49.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.1 tt -54.88 160.02 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -123.56 -49.93 1.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.3 p 40.62 41.75 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.82 -102.0 2.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 160.49 49.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.4 p 38.33 43.28 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 113' ' ' GLY . 80.5 p -62.54 -45.46 92.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 112' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -155.55 159.58 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -152.29 169.09 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.78 98.83 0.6 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 m -39.39 127.03 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -132.45 154.65 49.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.29 98.94 0.78 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 8' ' ' THR . 4.6 t -166.69 114.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.333 . . . . 0.0 111.118 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.23 105.54 1.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.8 p -160.23 149.25 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.4 p -108.5 -54.35 2.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -128.91 105.29 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.609 ' HB3' HD13 ' A' ' 87' ' ' ILE . 61.8 m95 -50.47 -56.59 10.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.464 HG21 ' HB2' ' A' ' 92' ' ' ALA . 11.4 mt -66.44 94.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG12 ' C ' ' A' ' 36' ' ' GLU . 14.2 p -70.18 -33.53 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -156.67 145.98 15.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.897 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.0 Cg_endo -69.75 171.56 53.07 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.372 -0.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t -104.41 63.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.96 -151.35 22.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -89.57 145.84 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.7 t -134.13 139.62 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -107.81 139.22 42.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -142.08 131.26 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.2 138.68 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.725 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -136.21 177.1 8.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.409 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.7 t -138.32 159.63 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 2.0 tpt180 -45.29 111.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt 68.01 44.68 1.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 23.6 tp10 -100.29 162.53 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 4.0 tmt_? -106.9 103.11 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.435 ' CG2' HD13 ' A' ' 72' ' ' LEU . 34.2 m -101.07 162.21 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.625 HG22 HG22 ' A' ' 71' ' ' VAL . 94.3 t -141.08 105.44 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.569 HD22 HD23 ' A' ' 70' ' ' LEU . 5.1 mp -83.78 134.9 34.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.949 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.472 HG22 ' CE1' ' A' ' 16' ' ' TYR . 22.1 m -108.51 113.21 26.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.401 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.7 t -137.35 105.08 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' C ' HG12 ' A' ' 15' ' ' VAL . 11.0 tt0 -95.74 161.1 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.673 HD11 ' CG1' ' A' ' 44' ' ' VAL . 28.2 mt -130.57 161.29 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 t -84.94 8.24 18.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.619 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 18.1 mmt180 -148.68 140.15 14.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.587 0.708 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.6 Cg_endo -69.77 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.58 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.1 p-90 -83.51 26.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.619 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -89.18 110.62 21.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.062 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -80.76 143.43 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.673 ' CG1' HD11 ' A' ' 37' ' ' LEU . 11.3 m -126.17 163.3 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 -139.88 129.74 24.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.515 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 75.9 m95 -95.78 143.07 27.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.7 p -140.79 132.82 27.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 51' ' ' GLU . 24.5 tttm -106.82 108.4 19.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.6 t70 59.49 48.93 9.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 -29.69 4.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.441 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' LYS . 23.7 mt-10 -82.85 161.74 21.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -98.83 134.16 42.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 46' ' ' TRP . 33.8 m -78.67 131.96 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -109.03 137.51 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -44.87 147.96 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.438 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.38 167.13 4.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.699 0.761 . . . . 0.0 110.835 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.4 Cg_endo -69.74 3.61 2.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.53 -11.81 8.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.72 HD21 HD21 ' A' ' 61' ' ' LEU . 8.1 tt -134.99 98.93 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.435 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 64.5 mt -93.17 126.56 38.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.72 HD21 HD21 ' A' ' 59' ' ' LEU . 82.0 mt -96.79 112.6 24.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 69' ' ' ARG . 69.1 mm-40 -98.38 148.28 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.51 125.66 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.594 ' HB3' HG13 ' A' ' 67' ' ' VAL . 5.2 tt0 -101.36 -174.91 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -48.85 -71.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 40' ' ' PRO . 5.2 p -114.89 -0.33 13.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.1 p -125.03 143.94 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -107.06 156.12 19.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 62' ' ' GLN . 35.6 mtm180 -143.18 145.58 32.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.611 HD13 HD23 ' A' ' 61' ' ' LEU . 3.9 tp -119.46 99.61 6.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.625 HG22 HG22 ' A' ' 32' ' ' VAL . 77.8 t -95.9 137.98 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.435 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.8 mp -122.62 104.23 36.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.435 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 54.2 Cg_endo -69.72 -11.8 31.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.34 107.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.428 HG23 HG11 ' A' ' 98' ' ' VAL . 1.3 m -105.5 172.02 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -142.56 144.26 32.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' HG ' ' CD ' ' A' ' 27' ' ' ARG . 48.3 mt -45.71 -35.32 4.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -67.13 -39.78 86.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.11 -34.5 66.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.9 p -49.67 124.68 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.53 -124.57 0.85 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -130.19 103.48 6.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -83.95 107.29 16.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.94 127.91 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.9 t -111.07 107.17 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.56 137.81 39.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -110.43 -55.43 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -134.96 -72.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -119.41 -24.47 6.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -101.46 169.02 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.7 p -145.04 148.77 34.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.464 ' HB2' HG21 ' A' ' 14' ' ' ILE . . . -103.37 135.98 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -93.69 128.11 39.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -134.8 99.87 4.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.4 m -80.37 124.82 29.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.9 t -130.7 96.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.3 m -93.41 116.15 28.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.725 HG22 ' HB3' ' A' ' 25' ' ' ALA . 48.9 t -99.65 139.07 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.8 p -131.73 -178.79 5.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -86.21 137.1 35.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.7 65.44 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.402 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 174.47 9.44 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.274 . . . . 0.0 112.299 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.76 116.37 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -124.19 -61.29 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.408 HG22 ' H ' ' A' ' 105' ' ' ILE . 3.3 tt -76.54 115.48 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.17 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 78.0 mt -114.93 110.57 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -71.23 163.45 27.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 109' ' ' GLY . 57.5 p -124.1 153.13 41.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 108' ' ' SER . . . -36.39 125.29 0.91 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 1.09 4.77 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.315 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.4 p -104.42 -46.21 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 80.9 p -144.24 113.28 6.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -81.02 -62.22 1.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 110.856 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -139.13 157.98 45.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.4 95.98 0.36 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.436 ' HB3' ' CZ3' ' A' ' 41' ' ' TRP . 57.8 m -102.24 125.3 48.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -116.37 110.42 18.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.26 -178.96 19.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 9' ' ' ASP . 27.1 m -63.76 156.7 26.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 111.159 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.448 ' N ' HG22 ' A' ' 8' ' ' THR . 4.9 t70 -47.59 106.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.845 HG21 ' CE2' ' A' ' 13' ' ' TRP . 27.3 m -82.46 83.43 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' VAL . 16.2 m -37.4 -52.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.9 p -143.5 117.27 9.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.845 ' CE2' HG21 ' A' ' 10' ' ' VAL . 59.1 m95 -64.23 -48.87 74.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.2 mt -74.28 101.99 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 36' ' ' GLU . 12.4 p -80.37 -30.75 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -162.09 145.17 8.99 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.696 0.76 . . . . 0.0 110.896 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.69 ' HG3' HG21 ' A' ' 21' ' ' VAL . 53.6 Cg_endo -69.76 167.41 71.11 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.348 -0.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.9 p -112.47 66.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.41 -131.34 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -107.91 145.4 33.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.69 HG21 ' HG3' ' A' ' 17' ' ' PRO . 87.0 t -134.56 116.26 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -98.67 135.0 40.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -138.51 139.72 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.28 134.74 54.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.68 173.24 11.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 t -129.35 160.61 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 7.1 tpt180 -47.31 119.29 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 mt 64.32 40.59 6.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 35.7 tp10 -102.44 159.65 15.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.38 119.14 38.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 72' ' ' LEU . 22.4 m -115.93 165.75 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 71' ' ' VAL . 85.4 t -144.04 105.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.643 HD22 HD23 ' A' ' 70' ' ' LEU . 5.1 mp -81.9 142.51 32.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 m -113.37 114.82 27.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -139.03 106.15 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.429 ' O ' HG12 ' A' ' 15' ' ' VAL . 11.2 tt0 -95.76 156.26 16.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.645 HD11 ' CG1' ' A' ' 44' ' ' VAL . 31.3 mt -128.4 159.51 35.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.76 13.04 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.519 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 22.4 mmt180 -150.04 138.56 12.44 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.566 0.698 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.5 Cg_endo -69.8 -47.48 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.313 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.519 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.5 p-90 -88.43 33.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.61 110.33 21.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -83.25 129.82 35.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 37' ' ' LEU . 14.7 m -116.78 164.21 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -144.6 123.4 12.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.564 ' O ' HG22 ' A' ' 53' ' ' VAL . 42.6 m95 -90.01 134.82 34.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.7 p -125.27 131.19 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -101.04 93.68 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 73.55 36.6 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.48 -29.37 9.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -80.96 143.98 32.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -83.96 112.47 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 46' ' ' TRP . 33.1 m -52.55 145.8 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.1 p -121.31 123.12 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.4 mt-10 -35.49 147.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -171.88 167.11 3.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.748 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 53.7 Cg_endo -69.74 6.28 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.46 -13.97 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.816 HD21 HD21 ' A' ' 61' ' ' LEU . 7.2 tt -134.97 99.8 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.449 ' HG ' ' CD ' ' A' ' 73' ' ' PRO . 52.1 mt -93.5 125.86 38.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.816 HD21 HD21 ' A' ' 59' ' ' LEU . 59.3 mt -96.69 112.07 23.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 57.1 mm-40 -93.22 146.77 23.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HG3' ' C ' ' A' ' 62' ' ' GLN . 37.5 mttt -140.77 117.47 10.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.698 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.1 tt0 -96.82 -174.76 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -50.71 -71.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 40' ' ' PRO . 7.1 p -115.15 2.78 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.698 HG13 ' HB3' ' A' ' 64' ' ' GLU . 1.6 p -127.21 142.29 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -112.0 155.07 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -146.64 150.28 35.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 61' ' ' LEU . 6.1 tp -121.14 106.11 11.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 32' ' ' VAL . 92.0 t -101.4 136.71 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 71' ' ' VAL . 6.7 mp -119.7 102.03 47.69 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.603 0.716 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.449 ' CD ' ' HG ' ' A' ' 60' ' ' LEU . 53.6 Cg_endo -69.76 -8.69 24.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.37 105.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 76' ' ' GLN . 1.1 m -102.71 178.33 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.417 ' N ' HG23 ' A' ' 75' ' ' VAL . 8.0 mp0 -147.54 150.52 34.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.427 HD23 HG12 ' A' ' 98' ' ' VAL . 61.0 mt -52.86 -34.87 56.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.12 -37.27 75.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.17 -35.4 67.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.4 p -47.44 117.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.39 -132.47 1.45 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.99 105.14 10.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -86.36 107.4 17.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -107.83 120.32 41.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 11.4 t -98.46 107.15 19.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -100.79 136.7 40.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.761 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -111.06 -57.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.47 ' CB ' ' CD1' ' A' ' 13' ' ' TRP . 7.7 t0 -135.0 -72.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -118.45 -24.48 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -102.75 170.35 8.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.2 p -146.03 151.47 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.51 129.66 50.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.2 t -85.78 124.7 32.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -134.1 99.91 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.24 25.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.0 t -126.73 105.32 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 80.9 m -104.97 124.45 49.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.427 HG12 HD23 ' A' ' 77' ' ' LEU . 57.5 t -106.25 149.71 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.1 p -143.31 179.97 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -83.55 136.21 42.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 162.75 40.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 179.12 3.9 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.382 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.6 t -119.33 130.45 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -115.6 -51.07 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.9 pt -127.54 155.79 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 66.7 mt -130.31 145.3 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -156.22 123.32 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.6 t -80.1 -54.98 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.16 140.94 1.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 129.22 17.25 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 0.0 112.317 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 m -89.1 166.49 13.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 99.0 p -75.04 -50.7 15.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.51 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p -119.11 167.4 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -94.56 157.49 15.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.6 47.42 0.68 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p -120.66 127.72 52.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 p -81.28 -60.55 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.36 179.51 20.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.6 p -87.43 151.95 22.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 111.153 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -87.75 88.26 7.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.43 167.6 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.0 m -98.64 -58.03 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 p -114.88 102.74 10.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.71 ' HB3' HD13 ' A' ' 87' ' ' ILE . 39.4 m95 -54.18 -57.37 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.3 mt -74.69 90.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 36' ' ' GLU . 10.8 p -68.43 -21.48 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.549 ' CG ' ' HA ' ' A' ' 17' ' ' PRO . 1.3 t80 -174.31 145.0 0.99 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.675 0.75 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.894 ' HG3' HG21 ' A' ' 21' ' ' VAL . 54.0 Cg_endo -69.81 163.95 80.64 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.353 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -109.74 66.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.52 172.62 14.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 130.05 23.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.356 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.894 HG21 ' HG3' ' A' ' 17' ' ' PRO . 89.4 t -111.66 139.48 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -121.51 134.2 55.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -145.38 141.52 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.63 142.27 46.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.83 176.8 8.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -133.07 160.6 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -48.33 114.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 mt 69.84 43.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.461 ' O ' HG13 ' A' ' 75' ' ' VAL . 5.3 tp10 -103.25 162.03 13.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.42 110.11 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.439 ' CG2' HD13 ' A' ' 72' ' ' LEU . 34.4 m -108.79 162.85 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.484 HG22 HG22 ' A' ' 71' ' ' VAL . 90.2 t -142.3 105.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.726 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 4.3 mp -83.18 132.93 35.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.3 m -106.84 113.62 27.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.38 105.23 6.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.53 ' O ' HG12 ' A' ' 15' ' ' VAL . 12.6 tt0 -95.83 152.67 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.726 HD11 ' CG1' ' A' ' 44' ' ' VAL . 50.2 mt -125.65 154.2 42.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 p -81.71 5.8 17.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.743 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 11.1 mmt180 -142.76 137.83 15.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.853 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.627 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.5 Cg_endo -69.8 -49.68 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.564 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 3.8 p-90 -83.41 21.39 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.743 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -83.81 112.91 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -86.07 140.38 30.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.726 ' CG1' HD11 ' A' ' 37' ' ' LEU . 16.4 m -127.27 165.24 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -147.38 125.8 12.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.726 ' CZ3' HD23 ' A' ' 33' ' ' LEU . 52.1 m95 -87.89 133.47 33.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.3 p -122.37 131.36 53.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 83' ' ' TYR . 14.5 tttt -106.26 97.31 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 71.68 34.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.93 -27.25 17.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -83.41 151.66 25.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -87.45 115.91 25.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 46' ' ' TRP . 34.4 m -45.01 149.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 54' ' ' VAL . 9.8 p -125.57 113.19 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' VAL . 6.0 mt-10 -33.77 147.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.469 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -170.29 168.46 4.22 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.664 0.745 . . . . 0.0 110.865 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 54.1 Cg_endo -69.79 1.28 4.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -117.82 -10.1 10.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.747 HD21 HD21 ' A' ' 61' ' ' LEU . 6.8 tt -138.44 111.29 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.6 mt -105.1 125.76 51.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.855 HD23 HD13 ' A' ' 70' ' ' LEU . 62.4 mt -96.01 111.19 23.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 75.7 mm-40 -94.97 150.93 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' HG3' ' C ' ' A' ' 62' ' ' GLN . 46.9 mttt -144.79 117.25 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.655 ' HB3' HG13 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -96.49 -174.37 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -48.41 -71.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 40' ' ' PRO . 7.2 p -116.94 3.74 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.655 HG13 ' HB3' ' A' ' 64' ' ' GLU . 1.8 p -126.98 133.62 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.0 mmt-85 -106.66 151.21 25.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 62' ' ' GLN . 58.4 mtm180 -144.21 150.89 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.855 HD13 HD23 ' A' ' 61' ' ' LEU . 3.2 tp -121.03 101.67 7.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.484 HG22 HG22 ' A' ' 32' ' ' VAL . 92.6 t -95.86 143.92 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.439 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.1 mp -126.18 107.43 24.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.17 34.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.404 ' O ' ' HB1' ' A' ' 58' ' ' ALA . . . -164.66 107.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 29' ' ' GLU . 1.2 m -102.66 175.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -144.53 150.98 38.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.57 -33.48 46.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -35.3 75.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.82 -34.67 74.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -50.37 118.8 3.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.69 -124.24 0.7 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -131.67 100.0 4.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 48' ' ' LYS . 16.0 m-85 -83.93 111.16 19.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 93' ' ' SER . 2.0 mm? -110.45 110.02 20.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.546 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 35.0 t -88.51 106.16 18.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.74 155.43 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.754 HG23 ' H ' ' A' ' 88' ' ' ASP . 0.5 OUTLIER -130.19 -74.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.754 ' H ' HG23 ' A' ' 87' ' ' ILE . 3.7 t70 -123.68 -71.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -121.73 -10.48 8.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -107.53 169.52 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.431 ' HB2' HD12 ' A' ' 84' ' ' LEU . 3.4 p -147.16 137.97 23.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -103.47 122.97 46.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.447 ' HA ' HD22 ' A' ' 84' ' ' LEU . 20.3 t -85.77 131.37 34.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.48 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 20.1 m-85 -135.01 99.58 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.6 m -80.04 103.48 9.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.08 98.54 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.5 m -95.58 135.83 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 19.1 t -117.33 135.62 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.6 p -125.54 -179.72 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -85.85 136.48 36.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 155.77 65.14 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.713 2.275 . . . . 0.0 112.338 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -178.65 2.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 103' ' ' VAL . 13.9 p -60.41 119.07 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.492 ' O ' HG23 ' A' ' 106' ' ' ILE . 4.7 tpm_? -107.54 151.21 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.454 ' N ' ' HG3' ' A' ' 104' ' ' ARG . 55.0 mt -56.55 107.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 104' ' ' ARG . 2.7 pp -105.93 159.21 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -120.27 175.03 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 m -62.81 103.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 126.9 82.1 0.4 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 160.66 48.86 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -86.06 177.08 7.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.6 t -128.7 165.59 20.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -170.27 124.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -141.37 137.72 32.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.44 131.37 5.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -70.08 145.59 51.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.94 0.4 . . . . 0.0 110.791 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.5 p -89.44 42.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.29 70.76 0.45 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -83.21 135.28 34.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.317 . . . . 0.0 111.154 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -113.46 99.59 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.9 t -97.89 120.86 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -74.54 -51.66 14.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 p -151.72 113.69 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.669 ' CE3' HD11 ' A' ' 87' ' ' ILE . 37.3 m95 -60.2 -57.25 13.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.9 mt -76.06 102.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.498 HG12 ' C ' ' A' ' 36' ' ' GLU . 12.0 p -80.0 -22.57 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.565 ' HA ' ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -168.6 144.19 2.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.73 165.55 76.26 Favored 'Cis proline' 0 C--O 1.231 0.144 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.322 -0.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -99.29 62.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.54 -150.83 22.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -89.63 148.44 23.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -135.12 148.25 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -115.3 138.69 50.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.0 t -143.18 128.13 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.93 145.25 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -145.25 176.26 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.452 ' H ' ' CB ' ' A' ' 29' ' ' GLU . 1.2 t -136.08 160.63 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.061 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 ttp85 -45.39 111.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt 68.72 44.18 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 9.5 tp10 -99.33 162.17 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -105.21 104.49 14.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 m -105.57 159.07 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.903 HG22 HG22 ' A' ' 71' ' ' VAL . 72.3 t -141.76 105.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.517 HD22 HD23 ' A' ' 70' ' ' LEU . 4.2 mp -84.54 140.67 31.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.0 m -113.32 119.42 37.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.432 ' C ' HG23 ' A' ' 67' ' ' VAL . 3.5 t -138.25 106.82 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.498 ' C ' HG12 ' A' ' 15' ' ' VAL . 9.8 tt0 -95.93 154.89 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.469 HD11 ' CG1' ' A' ' 44' ' ' VAL . 32.8 mt -129.43 155.01 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.9 p -78.97 2.54 19.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 39.3 mmt-85 -139.5 136.49 17.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.833 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.5 Cg_endo -69.78 -51.09 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.363 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.3 p-90 -84.16 29.25 0.57 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.91 109.91 20.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.16 136.31 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' A' ' 87' ' ' ILE . 30.1 m -123.77 175.62 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -154.25 125.32 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 60.2 m95 -86.3 134.06 33.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.8 p -129.0 128.51 43.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 51' ' ' GLU . 17.0 tttm -101.52 100.78 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 64.35 43.46 4.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.6 -33.0 4.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.444 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' LYS . 19.8 mt-10 -78.38 149.04 33.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.72 128.61 36.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.03 140.6 18.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -118.98 128.68 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -39.94 145.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.456 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -167.67 168.01 6.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.701 0.762 . . . . 0.0 110.867 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.456 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.0 Cg_endo -69.78 3.3 2.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.722 2.281 . . . . 0.0 112.291 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.46 -3.26 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 59' ' ' LEU . 7.2 tt -143.73 105.02 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -98.89 130.13 45.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.596 HD21 HD21 ' A' ' 59' ' ' LEU . 62.1 mt -99.69 111.69 24.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' ARG . 64.2 mm-40 -93.35 148.48 22.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.78 120.29 12.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.673 ' HB3' HG13 ' A' ' 67' ' ' VAL . 1.1 tp10 -98.85 -176.43 3.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -43.85 -71.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.833 HG22 ' HA ' ' A' ' 40' ' ' PRO . 0.8 OUTLIER -120.29 6.19 10.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.673 HG13 ' HB3' ' A' ' 64' ' ' GLU . 1.7 p -127.34 131.55 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -95.47 153.97 17.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' GLN . 26.9 mtt180 -143.43 147.44 34.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.577 HD13 HD23 ' A' ' 61' ' ' LEU . 7.9 tp -119.88 107.51 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.903 HG22 HG22 ' A' ' 32' ' ' VAL . 52.9 t -104.65 136.0 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 71' ' ' VAL . 6.8 mp -121.0 107.29 37.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.591 0.71 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.2 Cg_endo -69.71 -15.11 37.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.372 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.23 106.74 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.44 HG22 ' H ' ' A' ' 29' ' ' GLU . 1.3 m -104.88 159.87 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -132.42 149.89 52.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.3 mt -49.21 -28.19 4.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -68.26 -34.58 76.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -36.78 77.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.9 p -43.32 115.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.07 -127.53 0.99 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -133.22 104.9 6.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -84.73 109.65 18.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.42 113.54 26.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.529 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 44.1 t -94.37 106.89 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -96.01 149.57 21.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.77 HG23 ' H ' ' A' ' 88' ' ' ASP . 0.7 OUTLIER -123.92 -70.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.77 ' H ' HG23 ' A' ' 87' ' ' ILE . 4.7 t0 -124.61 -72.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -121.63 -15.11 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -106.01 174.37 5.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.4 p -147.72 146.66 29.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.529 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -103.71 128.5 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.2 t -87.4 130.9 34.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -139.93 104.97 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.2 m -86.34 120.28 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 68.3 t -125.84 105.07 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 83.1 m -102.92 119.55 39.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 25' ' ' ALA . 58.5 t -102.03 145.91 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.7 p -136.78 -176.84 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -90.16 134.98 30.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.74 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 161.46 45.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 177.81 5.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.365 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.26 141.97 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.0 mmt-85 -131.69 -59.31 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.517 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.6 pp -141.64 148.13 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.4 mt -127.69 105.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -146.47 154.12 41.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.9 t -52.01 136.18 29.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.72 101.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 137.3 35.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.4 t -146.39 109.11 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 t -59.2 155.0 15.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.52 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -51.66 158.88 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -147.4 165.01 31.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.21 -119.1 0.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -64.46 -49.64 70.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.379 . . . . 0.0 110.88 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 t -67.83 154.44 41.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.28 98.96 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.498 HG23 HG12 ' A' ' 10' ' ' VAL . 9.4 t -91.98 139.71 30.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.16 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -96.66 43.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.498 HG12 HG23 ' A' ' 8' ' ' THR . 7.2 p -95.64 -34.62 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 10' ' ' VAL . 66.2 m 34.27 47.99 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.5 m -154.62 125.77 7.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.811 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.758 ' HB3' HD13 ' A' ' 87' ' ' ILE . 71.5 m95 -85.45 -49.72 7.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.448 HG21 ' HB2' ' A' ' 92' ' ' ALA . 14.9 mt -70.65 94.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG12 ' C ' ' A' ' 36' ' ' GLU . 13.4 p -70.53 -29.09 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -161.26 145.87 10.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 54.2 Cg_endo -69.68 172.38 48.97 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.385 -0.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p -106.65 64.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.62 -145.4 15.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -96.8 145.59 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.6 t -134.04 133.97 55.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -103.5 139.49 38.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.3 t -142.51 132.42 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.51 133.88 50.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.744 ' HB3' HG22 ' A' ' 98' ' ' VAL . . . -129.66 176.57 7.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -136.92 158.15 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -43.78 112.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt 65.74 46.01 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 17.8 tp10 -101.36 160.03 14.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -101.88 101.84 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' CG2' HD13 ' A' ' 72' ' ' LEU . 17.5 m -100.16 159.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 71' ' ' VAL . 97.4 t -142.05 106.94 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.489 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.1 mp -85.36 137.9 32.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -110.2 114.41 27.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -138.39 108.79 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 37' ' ' LEU . 11.7 tt0 -95.61 165.62 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.53 HD11 HG13 ' A' ' 44' ' ' VAL . 43.6 mt -136.57 160.76 37.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.3 p -87.68 8.19 26.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.583 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 19.1 mmt180 -146.51 139.73 14.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 0.0 110.844 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.558 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.4 Cg_endo -69.83 -50.46 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.583 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 4.2 p-90 -84.1 29.15 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -94.02 109.77 21.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -85.19 144.87 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.53 HG13 HD11 ' A' ' 37' ' ' LEU . 21.5 m -121.2 165.09 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -139.91 118.92 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.505 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 59.8 m95 -89.81 132.28 35.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.9 p -125.93 131.43 52.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 15.9 tttm -102.87 93.59 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 74.92 25.07 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.21 -33.55 6.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 6.9 pt-20 -79.08 141.96 36.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -79.51 121.79 25.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 m -63.51 135.72 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.88 140.76 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -51.09 148.2 4.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.443 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -171.4 167.49 3.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.863 -179.764 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.5 Cg_endo -69.76 4.5 2.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.47 -6.44 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.766 HD21 HD21 ' A' ' 61' ' ' LEU . 7.8 tt -141.92 105.0 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 69.6 mt -97.85 127.87 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.766 HD21 HD21 ' A' ' 59' ' ' LEU . 78.7 mt -99.91 110.45 22.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -91.87 147.83 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -139.51 115.95 10.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.958 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.615 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.7 tt0 -93.02 -175.41 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.52 -66.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 40' ' ' PRO . 2.2 p -119.55 -0.78 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.4 p -123.53 145.52 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.1 mmt-85 -112.54 156.09 23.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -147.4 147.12 29.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.636 HD13 HD23 ' A' ' 61' ' ' LEU . 5.8 tp -116.6 106.36 13.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 32' ' ' VAL . 85.1 t -102.85 134.03 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.432 HD13 ' CG2' ' A' ' 31' ' ' VAL . 7.2 mp -118.78 107.62 42.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.78 -14.74 36.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.358 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.01 106.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.96 169.8 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -137.44 142.78 41.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.469 HD23 HG12 ' A' ' 98' ' ' VAL . 53.1 mt -44.81 -38.38 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -36.2 83.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -56.25 -36.11 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.7 p -44.88 114.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.12 -139.48 2.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -116.26 101.19 8.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -83.92 103.25 13.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.87 125.42 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.505 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 43.8 t -101.85 107.43 18.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -102.37 129.96 48.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.758 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -105.64 -67.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.59 ' HB3' ' CD1' ' A' ' 13' ' ' TRP . 1.9 t70 -122.74 -71.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -122.21 -22.06 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -100.26 168.47 9.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.7 p -145.79 146.9 31.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.448 ' HB2' HG21 ' A' ' 14' ' ' ILE . . . -104.32 133.14 49.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -89.59 125.23 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -133.77 99.99 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.7 m -80.28 122.94 27.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 82.7 t -127.04 95.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.7 m -93.93 116.14 28.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.744 HG22 ' HB3' ' A' ' 25' ' ' ALA . 58.8 t -101.33 137.82 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.5 p -132.83 178.14 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -80.58 137.38 51.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.63 30.31 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.38 21.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.58 142.24 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' ILE . 53.4 mtt180 -135.72 141.93 44.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 104' ' ' ARG . 80.5 mt -37.02 125.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 64.8 mt -67.38 124.27 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -117.89 -48.36 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.0 t -149.11 159.93 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 151.89 84.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 141.15 44.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.4 p -63.17 101.87 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.4 t -68.36 128.02 35.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -72.87 166.23 23.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 0.0 110.842 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 m -75.83 145.74 40.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.7 170.46 32.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -105.21 -58.22 1.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m 59.56 41.94 18.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.87 96.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 m -134.1 98.83 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 111.162 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 40.26 41.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.415 HG22 ' N ' ' A' ' 11' ' ' SER . 13.1 p -88.59 154.91 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 12' ' ' SER . 20.9 m -88.21 176.79 7.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' SER . 3.9 m -36.64 102.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.599 ' HB3' HD13 ' A' ' 87' ' ' ILE . 61.8 m95 -41.51 -55.13 2.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.1 mt -71.41 92.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.449 HG12 ' C ' ' A' ' 36' ' ' GLU . 9.7 p -69.41 -28.9 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -164.4 145.65 6.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.752 0.787 . . . . 0.0 110.886 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 16' ' ' TYR . 53.8 Cg_endo -69.76 165.51 76.44 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.34 -0.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -109.92 66.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.37 -151.56 23.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -87.46 145.8 26.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.468 HG21 ' HG3' ' A' ' 17' ' ' PRO . 86.6 t -135.04 123.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -101.52 137.7 39.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.8 t -142.39 128.15 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.32 123.83 50.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.96 172.78 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.433 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 1.5 t -124.41 158.6 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -45.17 121.59 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt 62.59 35.46 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 11.1 tp10 -96.66 155.92 16.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -100.73 121.44 41.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.404 ' CG2' HD13 ' A' ' 72' ' ' LEU . 27.1 m -118.01 165.19 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.698 HG22 HG22 ' A' ' 71' ' ' VAL . 89.9 t -144.46 106.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.514 HD23 ' CZ3' ' A' ' 46' ' ' TRP . 5.4 mp -83.85 140.54 31.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.0 m -112.49 118.28 34.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.5 t -140.25 105.95 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.449 ' C ' HG12 ' A' ' 15' ' ' VAL . 19.1 tt0 -95.87 160.9 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.493 HD11 ' CG1' ' A' ' 44' ' ' VAL . 33.6 mt -132.13 155.58 47.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.1 t -80.61 4.73 17.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.527 ' HD2' ' CZ2' ' A' ' 41' ' ' TRP . 26.9 mmt180 -144.51 138.9 15.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.87 ' HA ' HG22 ' A' ' 66' ' ' THR . 53.8 Cg_endo -69.74 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.527 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 2.0 p-90 -84.77 30.94 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HB2' ' HB2' ' A' ' 39' ' ' ARG . . . -95.29 110.8 22.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.065 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HA ' ' NH2' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -83.36 145.87 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.493 ' CG1' HD11 ' A' ' 37' ' ' LEU . 16.9 m -130.24 164.65 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -142.88 123.96 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 85' ' ' CYS . 55.0 m95 -88.58 130.34 35.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.2 p -122.86 128.01 49.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -102.22 93.53 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 71.53 38.7 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.64 -32.79 5.97 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.436 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -79.29 145.98 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -86.08 118.65 25.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.4 m -56.2 139.28 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 54' ' ' VAL . 14.9 p -118.75 126.35 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -38.6 147.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -170.31 167.77 4.52 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.655 0.741 . . . . 0.0 110.882 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 56' ' ' SER . 53.9 Cg_endo -69.73 2.38 3.56 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.73 2.287 . . . . 0.0 112.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.09 -8.97 9.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.739 HD21 HD21 ' A' ' 61' ' ' LEU . 8.0 tt -138.82 106.34 5.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.6 mt -98.28 128.51 44.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.739 HD21 HD21 ' A' ' 59' ' ' LEU . 67.8 mt -99.6 108.86 21.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -91.9 146.25 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -137.22 119.67 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.619 ' HB3' HG13 ' A' ' 67' ' ' VAL . 4.3 tt0 -96.75 -175.61 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.34 -65.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.87 HG22 ' HA ' ' A' ' 40' ' ' PRO . 1.3 p -122.62 0.19 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.619 HG13 ' HB3' ' A' ' 64' ' ' GLU . 2.4 p -123.12 140.97 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' NH1' HG22 ' A' ' 44' ' ' VAL . 17.7 mmt85 -107.13 154.88 20.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -146.9 146.66 30.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.722 HD13 HD23 ' A' ' 61' ' ' LEU . 7.8 tp -118.71 111.95 19.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.698 HG22 HG22 ' A' ' 32' ' ' VAL . 99.7 t -108.29 134.77 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.1 mp -117.83 104.49 48.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 72' ' ' LEU . 54.3 Cg_endo -69.73 -11.28 30.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.726 2.284 . . . . 0.0 112.35 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.15 105.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 29' ' ' GLU . 1.1 m -100.58 177.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.4 ' N ' HG23 ' A' ' 75' ' ' VAL . 12.7 mp0 -146.86 145.52 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.7 mt -48.76 -31.85 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -69.82 -38.39 76.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -55.27 -35.81 65.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.6 p -44.96 115.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.46 -128.14 0.96 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -130.96 103.08 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.392 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -83.9 108.08 16.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -108.3 115.06 29.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.568 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 42.7 t -95.93 107.2 19.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -102.17 141.13 35.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.599 HD13 ' HB3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -112.07 -57.99 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' H ' HG23 ' A' ' 87' ' ' ILE . 6.9 t0 -134.98 -72.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -119.39 -16.36 8.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.517 ' CD ' ' N ' ' A' ' 90' ' ' GLU . 4.0 mp0 -106.27 168.13 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.1 p -147.19 144.9 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.42 127.05 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.1 t -85.6 128.5 34.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -133.9 100.08 4.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.7 m -79.74 118.08 21.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.5 t -126.41 101.22 7.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 63.7 m -102.87 119.65 39.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.7 t -97.78 150.38 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -141.67 178.79 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -85.29 133.25 42.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.59 18.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -178.85 2.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.507 HG13 ' O ' ' A' ' 103' ' ' VAL . 11.9 p -107.96 120.47 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -141.84 107.09 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.563 ' O ' HG22 ' A' ' 105' ' ' ILE . 10.6 mt 49.53 50.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 93.4 mt -118.67 99.04 7.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -58.24 141.68 49.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.1 m -83.3 82.57 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.812 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.52 92.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.12 35.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.732 2.288 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.1 m -134.75 106.83 7.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.6 t -71.42 80.89 0.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.991 . . . . . . . . 0 0 . 1 stop_ save_