data_2mwr_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 2mwr _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 1' ' ' ILE . . . . . . . . . . . . . 41.8 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.835 0.35 . . . . 74.15 111.139 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -77.65 -3.95 43.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 73.02 110.905 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -108.95 -32.84 7.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.135 -0.484 . . . . 73.22 110.931 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.09 -30.98 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 75.4 111.118 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -19.5 63.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 75.31 111.084 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -89.24 -66.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 61.24 110.842 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -56.75 -63.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 45.25 110.873 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -76.93 -71.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.898 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.49 39.27 94.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 74.55 112.468 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.3 mt -75.28 -23.91 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.824 0.345 . . . . 72.23 111.09 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -111.2 70.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.853 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.1 tp -79.18 112.74 16.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.11 78.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.25 111.094 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.8 t -95.89 26.61 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 64.44 111.156 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.54 -84.11 1.76 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.691 -0.766 . . . . 64.4 112.483 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -106.36 -30.22 9.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 72.41 111.157 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.89 -25.96 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 74.33 111.127 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -57.35 -53.06 62.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 73.25 110.895 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -56.83 -25.18 55.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 65.22 110.879 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -83.58 -44.62 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 75.54 110.949 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -19.78 48.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.12 110.917 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -89.64 9.58 26.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 71.23 110.831 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.91 -46.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.113 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.4 m -59.14 -33.83 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 54.5 111.119 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.28 -21.84 50.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.075 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -103.82 -25.48 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.3 110.844 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.96 71.76 0.15 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.741 -0.742 . . . . 72.4 112.472 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.78 82.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 74.32 111.123 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -116.62 -3.61 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.877 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.63 144.17 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.55 -19.84 3.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 61.03 112.459 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -108.31 -38.16 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 71.14 111.147 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.01 -24.7 52.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.33 111.135 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -80.62 -33.83 35.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 74.33 110.883 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.47 -22.44 51.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.35 111.104 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.97 -15.84 56.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 63.43 111.116 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.1 pt -104.77 -29.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 62.01 111.124 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mp -95.59 17.57 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.902 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.72 -12.05 17.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 71.31 112.459 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -78.25 -31.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 75.1 111.166 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -137.56 -41.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.141 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mp -75.13 160.46 80.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.716 . . . . 74.23 110.91 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.642 2.228 . . . . 75.14 112.35 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.05 -30.47 10.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 72.13 111.089 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -67.58 -29.76 69.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 73.52 110.9 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.87 -29.8 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 72.1 111.149 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.0 -35.58 80.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.926 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.59 -25.5 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 54.11 111.141 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.32 -29.39 61.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.106 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.97 35.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 71.24 111.077 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.96 -61.25 7.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 73.54 112.515 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.83 161.7 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 73.11 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp 59.48 49.16 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.35 110.924 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.91 168.31 32.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 71.01 112.512 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.65 125.96 23.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 74.33 111.133 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -115.58 -30.02 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 71.33 111.173 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.83 -5.55 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.4 111.13 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.52 111.098 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.352 . . . . 74.44 111.114 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -77.46 -3.88 42.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 72.11 110.94 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -107.65 -32.89 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 74.05 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mt -73.78 -40.29 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 73.31 111.147 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.9 -22.06 46.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 71.33 111.143 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -86.97 -68.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.89 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.01 -63.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.925 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -80.13 -70.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.894 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.55 -67.06 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 73.32 112.484 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm 59.9 61.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.871 0.367 . . . . 74.33 111.143 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 51.56 31.07 7.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.888 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.28 140.06 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 75.21 110.928 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.8 79.52 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 42.2 111.053 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -94.77 25.35 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 73.53 111.134 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.94 -69.63 1.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 53.53 112.474 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.8 m -101.84 -33.41 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.754 0.311 . . . . 65.31 111.086 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.04 -20.43 57.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 53.14 111.091 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -56.31 -52.52 64.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.893 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.2 -26.52 60.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.867 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.8 mt -80.74 -44.52 18.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 72.52 110.891 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 mt -69.27 -12.13 61.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.939 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -98.19 3.53 48.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.849 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.04 -38.27 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.057 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.8 m -64.59 -33.9 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 73.33 111.091 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.19 -22.69 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 63.01 111.093 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -76.94 -38.99 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.44 110.911 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 163.7 82.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 70.12 112.496 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.84 103.86 8.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 60.13 111.078 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.5 t -81.12 -0.76 41.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 73.53 110.859 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.25 146.01 7.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 62.44 110.914 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.16 -34.9 0.53 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.781 -0.723 . . . . 72.53 112.466 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.62 -48.21 11.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 74.04 111.138 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.03 69.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.42 111.163 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -73.52 -29.17 62.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.866 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.65 -22.76 43.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 64.51 111.123 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.9 -12.2 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 71.33 111.042 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.0 pt -106.95 -29.06 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 71.41 111.126 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mp -96.59 17.65 15.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 64.31 110.885 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.81 -11.42 19.05 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 55.43 112.436 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -78.78 -31.94 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 74.32 111.141 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 t -137.79 -41.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.34 111.111 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mp -74.94 160.48 80.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 74.41 110.904 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 74.25 112.324 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.26 -28.78 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.23 111.081 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -68.39 -29.67 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.31 110.882 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.18 -29.28 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.12 111.06 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.73 -45.8 84.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 75.24 110.919 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.96 -34.7 64.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.22 111.111 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.43 -25.33 67.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.32 111.088 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.92 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.01 111.089 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.51 21.46 2.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 73.21 112.452 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.09 -75.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 70.1 111.052 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 mp -78.38 -71.59 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 75.01 110.888 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.37 38.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 71.04 112.489 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.33 115.33 27.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 75.41 111.116 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.0 t -115.24 -31.17 6.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.141 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.39 -15.52 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.084 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 64.24 111.131 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.0 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.818 0.342 . . . . 65.52 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -78.09 -4.0 45.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -109.7 -32.38 7.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.899 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.82 -32.54 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 75.44 111.158 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.32 -16.95 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.091 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.45 -68.57 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 64.45 110.881 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -54.37 -62.44 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.904 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -78.54 -71.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 74.13 110.869 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.77 80.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 72.21 112.469 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.6 mt -96.63 108.68 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 74.44 111.112 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 52.96 34.13 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 63.43 110.879 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.5 tp -54.11 134.22 44.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.929 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.83 78.53 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 65.25 111.091 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 t -95.22 24.67 4.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 74.2 111.13 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.28 -49.99 2.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 72.12 112.481 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -130.48 -40.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 74.13 111.156 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.22 -22.55 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 63.3 111.126 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -62.7 -48.05 80.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.846 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -59.99 -25.39 65.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.878 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.1 mt -77.23 -44.62 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 73.44 110.906 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.0 mt -66.42 -14.1 61.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.55 110.945 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -96.45 9.02 42.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.23 110.876 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.57 -40.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 73.51 111.071 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.2 m -64.86 -34.35 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.12 111.149 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.76 -24.16 33.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.15 111.062 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -75.65 -34.96 60.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 73.42 110.881 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 158.06 84.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 72.42 112.458 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.23 -41.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 65.31 111.144 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t 51.42 30.62 6.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.83 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.57 138.92 21.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 75.35 110.899 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.22 6.72 3.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 65.52 112.41 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.07 -38.16 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 70.34 111.111 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.03 -21.5 26.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 73.2 111.078 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -79.09 -31.18 44.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 71.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.1 -23.04 48.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 71.22 111.064 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.43 -13.38 56.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 62.33 111.114 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 pt -105.23 -28.96 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.51 111.128 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mp -94.96 15.9 17.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.1 110.872 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.97 -13.39 18.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 74.22 112.524 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -75.65 -31.88 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 73.25 111.123 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -137.91 -41.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.12 111.169 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.3 160.36 81.59 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.612 0.72 . . . . 74.42 110.942 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -170.78 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.762 2.308 . . . . 71.33 112.332 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.98 -33.3 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.04 111.07 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -63.87 -32.59 74.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 73.44 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.53 -27.77 27.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.073 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.6 mt -71.55 -36.77 71.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 75.54 110.922 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.18 -25.53 51.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 64.3 111.082 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.87 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.33 111.129 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.16 -37.19 74.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 63.35 111.087 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.73 -30.66 9.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 63.04 112.519 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.44 177.43 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 73.21 111.125 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -105.99 43.83 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 74.34 110.924 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.04 -47.61 0.94 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.777 -0.725 . . . . 71.42 112.453 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.27 111.29 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 74.45 111.112 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 t -115.41 -26.72 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 75.15 111.114 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.41 -4.73 7.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 74.11 111.082 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 54.43 111.1 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.4 mm . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.848 0.356 . . . . 75.45 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -80.97 -1.5 43.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.32 110.903 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -111.62 -38.17 4.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 75.24 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.8 -37.67 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 74.2 111.122 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.38 -17.03 58.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 73.33 111.088 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -86.71 -74.49 0.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -52.38 -63.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 72.01 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -77.98 -70.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.96 75.43 1.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 51.14 112.464 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mm -81.74 150.04 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 74.04 111.147 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -76.28 69.68 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 74.51 110.853 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 147.17 30.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 73.2 110.955 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.79 88.37 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 72.13 111.101 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.3 t -95.06 25.62 4.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.55 111.101 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.09 -49.38 1.25 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 73.34 112.514 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 m -115.7 -23.77 8.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.743 0.306 . . . . 70.45 111.156 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.66 -18.68 27.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 71.24 111.054 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -54.6 -37.76 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 74.24 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -64.39 -39.73 94.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.921 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.1 mt -71.0 -47.89 56.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 70.32 110.923 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.13 -24.67 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 73.54 110.909 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -82.31 1.87 34.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.844 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.52 -50.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 75.21 111.061 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 m -58.22 -28.08 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 74.41 111.084 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.28 -3.23 38.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.052 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -113.7 -20.43 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 64.52 110.839 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.83 -39.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 73.42 112.454 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.39 58.61 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 72.41 111.094 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 p -98.92 -46.98 5.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.836 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.52 148.79 4.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 73.42 110.893 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.81 -35.49 0.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.68 -0.771 . . . . 75.54 112.427 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -85.12 -46.55 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 73.25 111.133 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.87 -34.43 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 53.32 111.136 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -76.64 -31.24 57.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 75.24 110.915 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.34 -24.43 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 72.11 111.084 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.9 -18.08 51.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 72.11 111.11 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.9 pt -100.2 -27.64 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 74.54 111.083 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mp -92.97 14.43 17.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.915 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.33 -14.74 17.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 73.13 112.502 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.9 p -73.08 -31.68 36.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.911 0.386 . . . . 73.43 111.101 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -138.64 -41.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.23 111.111 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mp -73.67 160.52 81.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 74.15 110.917 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -170.51 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.634 2.223 . . . . 74.5 112.364 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.36 -28.21 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.127 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -67.76 -31.67 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.947 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.41 -24.45 44.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 71.24 111.111 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.15 -36.71 64.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.946 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.18 -25.27 55.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 73.34 111.124 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.15 63.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.12 111.08 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.46 -30.8 67.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.44 111.084 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.82 -43.66 60.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 74.32 112.524 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.77 -48.83 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.868 0.365 . . . . 74.22 111.096 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -145.13 112.01 5.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.872 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.52 -178.13 4.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 71.33 112.49 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.09 102.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 74.32 111.157 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -76.95 62.1 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 62.33 111.166 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.33 25.0 13.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 72.32 111.128 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 61.33 111.117 179.907 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.879 0.371 . . . . 70.42 111.166 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -78.89 -3.24 43.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.881 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -109.92 -34.44 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -72.32 -34.74 50.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 74.3 111.15 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.5 -18.53 65.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 74.43 111.09 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.55 -72.04 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.3 110.883 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -52.26 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.956 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -77.41 -66.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.55 110.912 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.52 67.47 2.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 73.41 112.495 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.8 mm -51.7 136.62 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 73.13 111.131 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -51.83 -37.29 51.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.89 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.39 -67.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 74.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.51 54.02 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 64.51 111.134 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -92.2 36.34 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 71.22 111.157 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.25 44.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 62.32 112.504 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 m -129.0 -55.78 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 75.14 111.179 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.62 -25.39 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 61.21 111.097 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -56.71 -51.29 69.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.873 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -56.56 -24.9 50.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.906 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.6 mt -84.67 -46.88 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.01 110.936 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.5 mt -67.75 -15.82 63.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 71.25 110.908 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -96.68 9.38 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.846 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.83 -39.91 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 73.23 111.105 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.2 m -62.37 -34.24 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 73.43 111.121 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -23.59 50.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 70.44 111.157 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -123.12 23.01 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 55.15 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.99 63.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 54.4 112.449 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.37 82.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 73.22 111.101 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.7 m -92.74 -6.1 49.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.828 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.2 -179.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 72.11 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.37 -22.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 60.22 112.482 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.6 m -113.7 -32.95 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.787 0.327 . . . . 53.35 111.143 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.35 -25.48 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.35 111.09 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -63.95 -30.0 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.882 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.5 -24.11 50.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 64.15 111.143 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.56 -16.86 55.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 74.42 111.132 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.4 pt -102.36 -28.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.35 111.136 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mp -98.02 17.62 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.937 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.39 -12.53 19.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 71.14 112.521 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -75.58 -31.61 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.403 . . . . 65.35 111.134 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -139.21 -41.39 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 73.33 111.136 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -73.89 160.4 81.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 75.1 110.891 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -170.91 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.713 2.275 . . . . 72.13 112.356 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.54 -28.64 11.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 71.43 111.094 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.1 p-90 -69.3 -29.64 67.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 54.34 110.932 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.73 -29.86 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 72.3 111.084 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.65 -39.68 92.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.932 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.98 -28.71 70.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 62.33 111.101 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.85 -24.33 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 70.33 111.115 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.74 -30.23 21.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 71.24 111.096 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.84 24.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 74.24 112.479 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.8 -178.26 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 71.04 111.142 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -51.87 121.72 7.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 75.25 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.09 -73.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 73.02 112.493 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.57 101.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 74.53 111.101 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.02 62.34 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 64.41 111.125 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.27 26.89 13.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.43 111.114 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.53 111.064 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.796 0.331 . . . . 65.13 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -81.39 -1.48 45.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.02 110.93 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -111.43 -37.83 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 73.22 110.89 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.5 mp -64.49 -37.62 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 75.34 111.139 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.43 -18.86 53.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.22 111.117 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -85.46 -71.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.845 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -56.72 -63.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.91 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -75.56 -71.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.847 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.83 85.94 1.78 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 75.24 112.473 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.9 mt -95.66 147.27 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 74.45 111.17 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -98.39 40.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 72.03 110.848 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -69.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.5 110.873 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.41 59.11 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.135 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.6 t -58.72 -18.23 29.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.54 111.157 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.99 -54.61 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 62.04 112.491 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.4 m -51.79 -70.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 72.44 111.153 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.57 -45.28 63.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 64.41 111.095 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -45.87 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.867 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -61.13 -24.28 66.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.905 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.2 mt -86.39 -49.75 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.4 110.929 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -20.29 56.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 72.31 110.871 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -99.69 -0.97 39.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.9 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.82 -16.25 9.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 75.43 111.102 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.5 m -88.47 -31.35 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 65.22 111.101 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.69 -24.77 36.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.122 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -74.24 -25.93 59.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.874 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.59 83.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 71.3 112.496 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.98 114.98 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 73.03 111.069 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 m -112.95 27.78 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 61.13 110.855 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.71 144.4 11.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 75.14 110.92 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.43 -25.51 2.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.76 . . . . 74.12 112.467 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -96.69 -43.33 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 74.53 111.157 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.81 -35.18 79.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.34 111.158 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -66.37 -28.1 68.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 73.55 110.899 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.76 -21.35 48.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 75.32 111.144 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.45 -15.19 58.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 54.44 111.069 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.9 pt -105.36 -28.32 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 73.14 111.137 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mp -98.12 13.89 29.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.897 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -106.9 -13.83 20.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 64.41 112.538 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -73.35 -30.19 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.363 . . . . 64.13 111.092 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 t -141.38 -41.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 75.23 111.154 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.36 160.37 82.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 73.11 110.906 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -170.8 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 75.2 112.336 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.96 -27.39 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 74.23 111.12 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -68.49 -30.27 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 74.31 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.62 42.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.077 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -74.24 -39.2 63.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 70.21 110.877 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.28 -24.59 59.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.14 111.105 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.68 -23.99 61.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 70.34 111.111 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.93 -25.3 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 73.04 111.113 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.65 -20.77 18.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 71.31 112.479 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.8 -75.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 65.53 111.114 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.0 mt -132.3 77.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 75.3 110.916 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.63 177.28 7.9 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 73.14 112.533 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.52 102.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 71.41 111.113 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.0 62.14 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 74.34 111.159 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.21 25.02 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 73.11 111.126 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.41 111.117 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.833 0.349 . . . . 74.12 111.135 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -77.56 -4.3 45.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.903 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -108.51 -33.73 6.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.947 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -73.23 -39.76 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 73.1 111.132 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.08 -20.36 57.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 74.1 111.101 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -88.04 -70.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.897 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -52.34 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.893 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -80.17 -70.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 64.54 110.855 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.0 -50.93 3.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 73.45 112.555 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp 54.64 56.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 73.34 111.113 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.3 m80 51.64 35.01 13.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.876 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.7 tp -54.69 131.69 44.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.31 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.06 77.51 10.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 65.2 111.073 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -94.82 25.05 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 71.32 111.175 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.07 -35.02 25.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 75.21 112.437 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.6 m -116.6 -23.42 8.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 74.24 111.14 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.02 -22.54 50.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 64.03 111.097 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -53.96 -38.1 64.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.925 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -25.07 64.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.22 110.9 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.9 mt -85.37 -51.5 6.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 54.43 110.925 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.47 -20.7 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 74.41 110.898 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -90.89 9.97 28.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 63.12 110.867 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.41 -40.31 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 73.22 111.105 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 m -60.37 -31.32 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 73.12 111.129 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.85 -23.72 66.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 70.15 111.151 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.4 t -101.2 -25.74 13.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 53.43 110.849 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.95 78.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.717 . . . . 75.21 112.53 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.79 82.46 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 63.03 111.082 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 m -92.02 -35.08 14.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.838 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.67 145.84 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 75.24 110.9 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.17 -33.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.76 . . . . 71.42 112.463 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -86.68 -49.58 7.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.748 0.309 . . . . 73.12 111.148 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.09 -39.04 65.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.07 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -69.63 -28.87 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.919 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.13 -21.04 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 75.54 111.069 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.04 -17.76 49.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 72.42 111.136 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 pt -103.36 -22.26 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.129 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mp -105.41 -16.19 14.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 75.35 110.885 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.55 3.39 85.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 73.14 112.5 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -99.88 -36.29 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 75.22 111.158 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 t -129.06 -42.0 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 73.31 111.196 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.88 163.41 68.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.633 0.73 . . . . 75.35 110.909 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -172.8 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 71.33 112.295 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.0 -38.02 9.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 71.04 111.095 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -59.66 -30.65 68.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.934 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.97 -42.44 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 75.34 111.094 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.3 mt -58.33 -31.7 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.917 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.51 -35.41 30.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 71.41 111.127 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.23 -26.28 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.2 111.098 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.39 -30.37 39.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 74.21 111.1 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.41 39.73 1.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 63.22 112.442 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.91 167.69 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 71.15 111.112 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.5 126.61 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.54 110.931 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.74 -153.48 24.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 62.01 112.466 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.2 120.71 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 73.12 111.118 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 t -121.12 -36.24 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.52 111.131 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.44 -7.78 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 72.33 111.122 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 64.11 111.128 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.4 mm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.866 0.365 . . . . 75.23 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -77.87 -5.54 51.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 72.54 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -109.19 -32.69 7.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.82 -31.95 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 72.12 111.114 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.1 -17.49 64.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.13 111.115 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -92.68 -63.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.11 110.859 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -59.36 -63.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 75.25 110.897 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -77.81 -71.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.906 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.37 83.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 73.12 112.5 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mt -92.96 62.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 75.14 111.121 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 51.38 31.09 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.856 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -17.78 58.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 72.42 110.927 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.6 57.93 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.126 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 t -63.91 -13.19 43.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 74.2 111.142 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.82 -13.87 66.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 73.41 112.498 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.4 m -99.03 -21.13 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 72.21 111.135 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.03 -22.03 23.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 61.22 111.123 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.83 -35.31 44.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.879 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -70.49 -39.79 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.917 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.95 -47.78 76.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.908 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -23.18 56.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.945 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -91.05 13.57 16.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 72.3 110.857 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.97 -40.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.41 111.106 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 m -64.7 -32.25 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 60.32 111.118 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -16.94 58.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 65.04 111.101 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -120.68 13.89 11.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 74.15 110.829 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.98 78.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 63.21 112.475 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.75 82.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 74.51 111.092 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.49 -39.08 12.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 74.34 110.87 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.59 144.44 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 63.41 110.936 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.7 -33.39 0.61 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 63.32 112.503 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.01 -48.47 9.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 75.41 111.143 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.9 85.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 73.15 111.102 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -66.57 -30.8 71.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.886 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.56 -22.89 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 71.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -17.14 51.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 72.02 111.114 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.3 pt -101.96 -25.64 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 72.22 111.111 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mp -96.72 15.95 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 73.03 110.903 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.78 -12.14 19.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 63.4 112.464 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -78.26 -32.07 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 74.3 111.109 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -137.18 -40.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 74.01 111.186 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.01 160.54 80.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 74.33 110.907 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -170.87 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 73.31 112.307 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.22 -29.62 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 75.43 111.089 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -66.68 -31.39 72.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.903 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.11 -29.51 22.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 74.3 111.09 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.96 -38.12 82.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.898 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.96 -26.34 66.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 64.33 111.098 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.19 -26.72 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.134 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.39 -25.8 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.18 19.63 48.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 71.45 112.487 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.94 -65.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 72.32 111.067 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.9 -70.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.927 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.43 143.21 4.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 65.14 112.493 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.86 101.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 75.11 111.084 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 t -77.01 62.49 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 70.22 111.114 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.09 27.17 14.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.14 111.094 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.52 111.094 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 38.2 mm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.779 0.323 . . . . 72.14 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -78.47 -3.66 44.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 72.25 110.911 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -108.39 -31.97 7.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 75.41 110.966 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.86 -32.78 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.12 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.83 -19.43 64.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 62.2 111.129 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -87.17 -65.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.874 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -59.06 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 72.55 110.916 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -75.83 -64.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.921 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.37 86.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 73.42 112.512 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.23 107.73 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 74.14 111.172 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.22 105.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 62.1 110.865 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.9 tp -140.08 -75.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 73.3 110.883 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 51.97 67.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 71.54 111.058 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 t -72.07 -9.39 58.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 71.13 111.131 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.23 -14.65 63.09 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.686 -0.768 . . . . 74.31 112.504 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.3 m -105.4 -21.13 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 73.33 111.105 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.61 -48.61 18.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.34 111.102 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -53.92 -27.42 30.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.922 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -68.01 -32.04 72.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.54 110.906 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.1 mt -70.41 -47.07 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 64.34 110.91 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.6 -19.27 47.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 70.53 110.885 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -93.66 12.83 24.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.855 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.24 -41.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 74.31 111.137 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.4 m -63.02 -32.2 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.22 111.117 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.77 -15.83 59.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 71.41 111.114 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m -126.74 17.74 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.19 65.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 55.41 112.529 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.67 82.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 64.11 111.128 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 t -106.01 -35.3 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.847 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.17 143.13 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 64.53 110.937 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.79 -35.01 0.46 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 74.52 112.477 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -79.46 -52.61 7.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 74.21 111.093 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.01 -34.97 61.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 63.41 111.121 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -70.98 -28.35 64.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 61.14 110.884 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.24 -22.08 45.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 75.21 111.074 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.14 -16.74 52.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 62.31 111.092 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.1 pt -100.61 -22.35 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 75.45 111.095 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mp -97.55 14.37 26.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 72.55 110.904 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.54 -14.43 17.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 74.22 112.491 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p -74.13 -31.94 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.925 0.393 . . . . 74.14 111.133 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 t -137.36 -41.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.52 111.137 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mp -74.68 160.46 80.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 71.52 110.934 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -170.8 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 74.31 112.341 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.66 -30.63 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.106 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -65.26 -31.68 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.83 -26.65 58.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.35 111.1 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.2 mt -72.67 -34.82 67.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.936 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.81 -28.44 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.5 111.132 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.69 -25.33 59.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.33 111.082 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.6 -26.64 27.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.125 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.64 -58.65 11.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 71.35 112.491 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.83 -55.6 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 75.42 111.072 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.25 144.23 31.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 63.02 110.958 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.86 139.75 20.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.77 -0.729 . . . . 74.5 112.453 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.61 101.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 74.13 111.103 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.01 62.15 2.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 65.22 111.167 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.29 26.32 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 72.33 111.094 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 65.23 111.111 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.873 0.368 . . . . 72.51 111.119 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.3 -4.45 45.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.929 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -106.2 -31.99 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mt -72.24 -39.43 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.04 111.092 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.15 -16.54 60.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 71.25 111.087 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -88.11 -61.61 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 65.54 110.886 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -67.25 -64.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -71.88 -61.68 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.835 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.28 73.35 0.51 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 54.23 112.504 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.1 mm -66.36 151.58 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 73.22 111.134 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -52.08 -28.8 18.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 71.24 110.836 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.2 -46.67 62.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 65.42 110.929 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.33 56.26 1.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.13 111.12 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.6 t -93.14 35.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 71.24 111.178 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.39 -45.16 1.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 72.12 112.485 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 m -54.08 -62.5 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 65.53 111.136 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -33.49 73.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 111.096 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -56.87 -51.6 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.85 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -62.88 -26.81 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 75.55 110.917 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.5 mt -75.29 -44.47 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.881 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.5 mt -69.09 -13.62 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 75.45 110.889 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -97.63 8.2 45.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 71.11 110.852 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.09 -39.59 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 75.11 111.104 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 m -64.18 -33.51 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 74.31 111.143 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -22.02 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 63.24 111.114 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -77.77 -39.27 44.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.87 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.12 82.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.474 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.92 105.17 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 63.1 111.073 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -86.09 4.37 38.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.12 110.861 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.52 143.75 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.948 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.55 -33.73 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 73.01 112.479 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -83.87 -49.6 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 73.13 111.121 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.42 -36.74 66.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.31 111.074 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -75.9 -29.79 58.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 74.02 110.863 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.75 -22.45 46.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 71.44 111.075 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.8 -16.15 56.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 73.03 111.116 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.4 pt -104.36 -29.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 75.15 111.167 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mp -98.24 17.98 17.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.885 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.75 -10.17 23.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 63.43 112.462 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 p -78.34 -31.21 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 72.14 111.153 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -139.91 -41.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 63.14 111.169 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -73.72 160.58 81.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.631 0.729 . . . . 75.03 110.907 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -170.8 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.653 2.235 . . . . 75.51 112.329 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.8 -29.79 10.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.135 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -67.76 -33.16 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.949 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.98 -25.18 42.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 73.25 111.098 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.3 mt -71.41 -36.58 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 72.22 110.915 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.73 -25.35 41.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 63.42 111.091 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.88 -37.24 62.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 73.35 111.135 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.84 24.1 5.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.3 111.118 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.26 -39.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.65 -0.786 . . . . 64.45 112.449 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.18 -53.06 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 71.21 111.071 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.9 tp -169.69 135.34 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.96 -143.24 10.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 72.53 112.544 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.57 110.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 73.44 111.14 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 t -116.44 -25.0 7.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 72.55 111.178 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.09 -14.64 9.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 64.44 111.142 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.14 111.098 179.926 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.5 mm . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.87 0.367 . . . . 72.5 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -80.05 -2.2 43.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 75.05 110.942 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -111.04 -35.04 6.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 71.25 110.926 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.0 -37.99 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.43 111.147 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.97 -19.25 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 60.4 111.113 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -87.66 -69.06 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.834 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -56.62 -62.96 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 62.5 110.938 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -77.13 -71.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.834 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.51 92.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 70.14 112.486 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.07 80.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 71.5 111.112 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.4 m170 58.93 25.5 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 75.14 110.827 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.07 141.74 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.911 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.35 76.42 10.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 74.31 111.069 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 t -94.91 31.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 72.22 111.112 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.21 -34.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 75.2 112.479 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -104.13 -66.95 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 74.41 111.15 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.92 -22.99 28.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 74.34 111.158 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.03 -35.25 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.864 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -33.64 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.918 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.79 -43.37 93.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.893 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.35 -13.6 60.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.13 110.912 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -102.69 -2.27 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 54.42 110.819 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -118.61 -26.97 6.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.079 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -77.17 -31.36 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 70.23 111.18 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.05 -22.88 42.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.34 111.051 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -74.92 -33.62 62.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 64.32 110.84 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.93 78.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 65.5 112.5 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.42 115.48 6.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 73.44 111.099 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.7 p -117.27 37.8 3.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 60.53 110.852 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.09 143.57 13.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 64.35 110.909 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.13 -18.74 4.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.781 -0.723 . . . . 53.14 112.493 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.5 m -107.85 -41.59 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 73.35 111.108 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.18 -29.39 48.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 51.5 111.112 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -72.3 -25.7 61.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.886 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.0 -20.35 45.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 72.4 111.141 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.48 -16.68 51.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 71.11 111.107 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.0 pt -105.28 -23.94 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 63.01 111.113 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mp -102.27 -18.54 15.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 73.4 110.925 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.68 3.27 87.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.732 . . . . 74.43 112.485 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -98.59 -35.65 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.391 . . . . 74.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 t -131.39 -41.73 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.107 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.25 163.41 67.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 74.51 110.898 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -173.15 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.622 2.215 . . . . 72.45 112.334 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.48 -47.7 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 75.12 111.105 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -53.59 -32.47 51.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 74.35 110.924 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.0 -40.37 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.34 111.041 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.1 mt -52.24 -42.31 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.26 -0.427 . . . . 75.51 110.918 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.32 -25.1 61.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 72.4 111.097 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.41 -24.43 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 65.11 111.121 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.69 -42.4 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.42 111.08 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.28 -79.13 0.46 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.742 . . . . 75.43 112.534 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.39 155.07 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 63.21 111.098 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -51.92 143.07 14.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.902 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.81 -79.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 50.41 112.507 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.39 100.38 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 71.34 111.094 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -77.02 63.23 2.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.093 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.24 25.44 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 53.22 111.108 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 64.41 111.073 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 39.0 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.879 0.371 . . . . 70.01 111.15 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -80.89 -2.77 48.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.925 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -112.97 -40.71 3.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 75.13 110.909 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.88 -38.54 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 74.45 111.09 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.06 62.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.084 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -86.53 -73.56 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 75.44 110.867 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -51.5 -62.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.05 110.858 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -77.79 -63.12 1.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 72.31 110.863 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.3 74.32 0.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 74.4 112.531 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.2 mm -66.19 149.94 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 73.34 111.131 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -77.93 59.23 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.799 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.9 tp -107.39 148.29 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.912 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.67 64.18 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.01 111.115 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -93.66 20.18 7.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.24 111.144 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.56 -29.38 73.94 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 65.51 112.44 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.4 m -72.17 -45.38 60.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 73.31 111.141 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.63 -22.1 63.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 75.31 111.102 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -46.82 65.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.906 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -60.49 -26.0 66.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.919 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.4 mt -84.56 -44.9 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.893 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.47 -19.76 50.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 74.03 110.886 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -87.93 7.48 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.876 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.12 -47.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 75.35 111.097 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.44 -32.79 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.22 111.127 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.25 -20.72 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.42 111.104 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -108.82 6.17 25.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 70.21 110.868 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.12 -73.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 71.33 112.465 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.24 63.58 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 75.22 111.086 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -110.35 -34.85 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.867 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.03 144.71 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 74.12 110.917 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.32 -22.84 3.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 63.02 112.476 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -102.11 -39.21 7.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.796 0.331 . . . . 73.51 111.168 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.14 -27.43 62.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 63.1 111.139 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -81.57 -30.37 33.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.889 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.79 -24.37 44.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 73.41 111.088 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.7 -15.83 55.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 60.42 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.8 pt -102.2 -26.3 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.082 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mp -96.46 16.32 18.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.938 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.89 -13.51 17.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.782 -0.723 . . . . 73.2 112.517 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -75.21 -31.92 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 70.21 111.154 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -137.83 -41.01 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 74.24 111.131 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.69 160.24 81.39 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.608 0.718 . . . . 75.21 110.844 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 74.34 112.375 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.63 -28.53 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 75.35 111.132 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -69.86 -33.74 72.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.927 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.54 -30.18 19.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 63.23 111.113 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.19 -39.77 93.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.931 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.87 -24.73 52.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 74.3 111.121 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.67 -22.6 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.24 111.066 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.17 -29.58 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 62.05 111.056 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.17 -24.89 42.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 75.41 112.478 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.74 -73.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 54.34 111.138 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.07 -41.76 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.913 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.96 -174.44 43.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 75.44 112.479 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -54.67 -30.95 56.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 75.03 111.078 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' ALA . 10.3 t 36.81 44.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.04 111.143 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.63 57.68 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 71.11 111.078 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 63.42 111.135 179.898 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.3 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.819 0.343 . . . . 73.54 111.127 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -78.64 -3.94 46.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -109.22 -33.94 6.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.502 . . . . 72.25 110.93 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -71.13 -39.28 73.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 75.31 111.102 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.61 -21.75 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 64.33 111.077 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.73 -71.02 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 64.22 110.844 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -53.77 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 72.54 110.922 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -79.32 -71.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 70.41 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.24 66.14 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 73.31 112.511 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -71.58 142.53 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 73.11 111.123 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -75.9 68.5 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.02 110.839 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.23 148.41 41.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 71.42 110.892 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.65 79.92 2.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 71.12 111.048 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -67.4 -21.6 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 54.03 111.12 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.02 -33.01 36.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 72.34 112.513 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.6 m -118.21 -34.52 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 74.13 111.177 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.53 -24.39 46.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 71.03 111.139 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -52.12 -48.15 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.898 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -25.31 61.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.844 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.0 mt -72.68 -45.45 58.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 75.1 110.909 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.21 -19.65 47.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.912 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.45 13.23 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.01 110.858 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.7 -41.16 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 62.41 111.115 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.7 m -64.25 -33.38 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.32 111.106 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.82 -22.27 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.31 111.133 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -99.82 -28.58 13.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.882 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.23 78.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 75.31 112.494 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.03 83.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 72.24 111.137 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 p -128.34 12.02 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.891 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.2 144.04 54.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 73.3 110.924 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.42 -21.2 3.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 72.43 112.459 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -107.08 -41.72 5.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 74.11 111.164 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.55 -24.58 58.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.4 111.088 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -84.46 -26.45 28.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.21 110.879 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.3 -21.25 33.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 73.22 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.87 -5.73 58.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 55.54 111.09 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.4 pt -115.94 -26.25 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 72.41 111.12 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mp -107.91 -12.75 15.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.896 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.49 6.09 80.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 70.14 112.44 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.3 -37.98 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 75.31 111.152 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 t -124.48 -36.76 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.5 111.175 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.07 163.81 53.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 73.33 110.898 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -179.52 2.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.626 2.217 . . . . 74.43 112.365 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.02 -43.46 11.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 73.13 111.077 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.0 p-90 -55.9 -31.49 62.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.945 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.37 -39.19 60.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.125 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.3 mt -69.04 -31.26 69.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 73.33 110.883 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.3 -26.07 51.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 63.14 111.133 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.61 -25.16 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 71.22 111.08 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.94 -25.28 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 72.55 111.075 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -78.28 -19.68 73.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 73.15 112.46 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.57 -65.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 73.34 111.12 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.3 mt -75.21 -41.88 56.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 64.02 110.964 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.99 174.96 20.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.74 . . . . 73.34 112.483 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.04 -25.61 61.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 72.15 111.075 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.1 p 51.55 29.08 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 73.12 111.135 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 66.67 35.97 4.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 72.24 111.09 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.01 111.081 179.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.7 mm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.817 0.341 . . . . 75.21 111.107 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -78.74 -3.05 42.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 72.12 110.921 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -109.44 -33.16 6.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 75.43 110.959 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.01 -37.63 47.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 73.33 111.193 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.66 -18.24 61.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 72.11 111.141 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -91.05 -60.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 73.2 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -62.97 -64.14 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.943 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -77.09 -66.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 74.03 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.56 69.06 1.37 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 73.21 112.449 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -51.4 127.7 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 64.52 111.132 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -55.3 -43.8 75.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.816 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.2 tp -51.83 149.63 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 73.03 110.959 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.32 60.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.2 111.112 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -94.96 35.07 1.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 71.4 111.125 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.13 64.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 73.54 112.473 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.7 m -63.13 -20.61 65.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 62.42 111.121 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.13 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 71.44 111.102 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -52.24 -45.0 65.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 75.44 110.927 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -69.44 -23.57 63.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.32 110.876 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.6 mt -80.12 -45.42 18.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.916 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.0 mt -65.95 -14.0 60.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 74.15 110.916 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -102.51 -3.05 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 63.54 110.877 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.66 -25.4 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 73.31 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.5 m -77.47 -31.17 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 73.4 111.134 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.41 -23.47 38.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 53.14 111.146 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -73.41 -35.35 65.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 71.13 110.86 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 165.35 75.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.757 . . . . 73.13 112.483 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.52 118.75 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 52.14 111.081 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.9 m -89.09 49.32 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.848 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.73 145.11 16.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 75.42 110.889 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.21 -34.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 75.03 112.527 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -94.84 -23.61 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 72.25 111.144 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.39 -27.31 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 70.15 111.1 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -57.22 -25.69 59.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.881 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.75 -19.05 38.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.2 111.097 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.05 -9.51 59.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.065 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 pt -109.55 -26.71 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 73.12 111.139 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.81 -12.81 15.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 70.52 110.946 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.45 5.95 80.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 70.45 112.521 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.21 -37.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 61.02 111.103 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.5 t -124.42 -36.81 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.33 111.13 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.05 163.77 53.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 74.32 110.895 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -170.57 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.263 . . . . 71.14 112.326 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.01 -32.98 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 55.51 111.05 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -66.91 -28.59 68.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 74.2 110.94 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.6 -41.98 61.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 72.43 111.127 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.8 mt -52.33 -40.54 62.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.84 -24.5 38.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 71.24 111.154 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.86 -21.63 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 74.12 111.11 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.53 -30.1 19.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 63.13 111.116 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.03 -78.24 0.15 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 22.41 112.484 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.83 108.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 64.54 111.055 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -133.38 -74.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 74.5 110.902 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -130.81 -98.13 0.78 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 65.13 112.51 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.89 77.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 52.2 111.097 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.2 t -93.0 -24.58 18.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.143 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.51 -8.87 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 71.12 111.098 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 64.24 111.06 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 43.9 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.854 0.359 . . . . 74.04 111.124 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -75.8 -7.14 53.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.92 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -109.22 -33.41 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 75.34 110.947 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.5 -34.22 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.146 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.54 -18.25 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 64.25 111.086 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -91.98 -62.24 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 70.1 110.868 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.41 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 64.15 110.866 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -78.13 -70.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.91 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.19 81.92 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.76 -0.733 . . . . 72.04 112.454 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.4 mp -97.0 -72.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 62.33 111.144 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -116.36 -27.23 6.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.02 110.859 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -68.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 70.21 110.934 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.88 56.67 3.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 71.24 111.093 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.8 t -93.43 35.94 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 63.43 111.133 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.48 -42.47 2.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 64.34 112.498 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -68.13 -66.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 62.24 111.099 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.61 20.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 74.43 111.124 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -55.13 -42.7 73.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -75.05 -24.58 58.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.891 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.4 mt -75.9 -45.39 35.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.937 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.6 mt -59.16 -19.48 45.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 73.4 110.971 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -89.14 8.79 28.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 74.34 110.824 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.61 -46.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.24 111.101 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.4 m -59.92 -33.79 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 73.15 111.158 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.0 -21.7 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.54 111.125 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 m -97.65 -20.65 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 70.15 110.883 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.75 -68.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 65.23 112.5 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.66 66.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 72.2 111.086 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.0 t -155.0 24.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.53 110.864 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.68 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 54.42 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.27 -6.57 59.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 65.45 112.485 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.9 m -128.99 -42.06 1.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 73.33 111.154 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.9 -25.02 20.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.111 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -71.73 -39.96 69.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.926 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.37 -20.91 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.32 111.09 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.48 -19.76 41.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 54.45 111.103 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.2 pt -101.56 -21.4 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.44 111.096 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mp -101.84 13.95 33.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.932 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.37 -14.06 19.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 72.31 112.535 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -73.59 -30.82 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 72.24 111.122 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -140.59 -41.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 70.12 111.132 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mp -72.31 160.36 82.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 73.35 110.879 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.62 2.213 . . . . 75.32 112.328 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.54 -26.2 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 75.52 111.092 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -71.27 -30.99 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.945 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.62 -28.51 21.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 70.23 111.146 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.3 mt -64.24 -33.41 75.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.72 -25.98 34.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.078 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.17 -34.85 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 62.32 111.1 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.12 -29.46 21.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.01 111.151 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.37 -41.88 99.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 71.22 112.444 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.59 -69.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 71.03 111.104 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.6 tp -159.85 142.92 13.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 63.44 110.904 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.11 -115.72 0.38 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.815 -0.707 . . . . 74.23 112.522 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.32 110.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 74.22 111.1 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.3 p -80.48 57.02 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 64.32 111.122 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 66.88 23.2 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 63.43 111.092 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 63.44 111.075 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 45.3 mm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.87 0.367 . . . . 75.21 111.129 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -78.8 -5.62 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.926 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -107.17 -30.56 8.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 74.32 110.89 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -74.83 -34.04 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 74.23 111.086 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.76 -15.55 61.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 71.11 111.111 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -90.57 -73.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -51.74 -63.18 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.904 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -78.89 -70.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.915 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.57 85.11 0.95 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 73.42 112.518 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.32 63.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 74.03 111.122 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -150.72 105.25 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 64.44 110.88 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.76 18.98 20.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.904 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.18 59.7 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 72.51 111.072 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -94.4 36.0 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 74.04 111.157 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -124.55 -45.46 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 64.42 112.491 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.1 m -117.7 -27.34 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 65.12 111.185 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.51 -25.2 61.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.45 111.116 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -55.88 -44.71 78.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.873 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -17.44 62.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 mt -93.35 -47.93 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 73.25 110.904 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.54 -28.85 65.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.935 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -87.5 7.11 30.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.858 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.47 -34.08 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 71.41 111.106 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 m -72.77 -26.89 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 72.2 111.167 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.4 -9.7 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.092 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.3 t -114.85 -1.14 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 73.51 110.846 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.35 -59.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 75.5 112.481 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.62 55.25 4.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 75.3 111.08 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t -119.52 -30.99 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 75.51 110.89 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.47 146.91 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 75.14 110.891 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.8 -34.76 0.47 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 64.41 112.508 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -83.42 -50.21 8.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 74.25 111.111 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.32 61.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 71.32 111.073 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -71.95 -29.85 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.03 110.866 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.37 -22.82 40.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.42 111.112 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.89 -13.77 59.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 62.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.1 pt -106.59 -29.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.15 111.128 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mp -91.3 12.81 19.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 75.33 110.918 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.24 -14.37 18.66 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 63.24 112.487 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -74.48 -32.05 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.961 0.41 . . . . 74.43 111.138 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 t -137.67 -41.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.128 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.69 160.47 82.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 74.14 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 72.54 112.382 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.34 -25.1 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.41 111.093 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -72.51 -29.06 63.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.92 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.73 -29.87 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 74.13 111.102 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.55 -42.95 77.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.898 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.91 -25.71 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.135 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.47 63.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 65.41 111.085 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.91 -27.13 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 64.33 111.076 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.32 -51.97 2.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 71.21 112.469 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.54 -55.57 33.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 70.41 111.112 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.3 tp -79.21 -54.83 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 75.4 110.933 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.15 -35.09 3.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.7 -0.762 . . . . 75.31 112.478 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 55.93 85.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 73.41 111.099 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 t -74.99 71.16 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 70.1 111.168 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.08 19.93 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.109 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 75.03 111.107 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 49.5 mm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.863 0.363 . . . . 74.41 111.144 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -66.61 -13.94 61.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 72.2 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -108.59 -35.1 6.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 74.31 110.88 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -73.73 -33.69 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 72.31 111.146 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.02 -19.09 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 73.03 111.11 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -90.38 -66.27 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.886 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -56.91 -62.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.939 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -77.52 -70.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 73.42 110.894 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.35 86.03 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 71.23 112.453 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mp -114.16 127.02 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.89 0.376 . . . . 75.41 111.121 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.0 m170 52.44 37.64 23.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.869 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.3 tp -53.55 129.4 32.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.937 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.91 79.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 64.31 111.051 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 t -64.62 -15.33 61.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.186 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.02 -13.8 32.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 72.23 112.48 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 m -118.55 -68.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 75.41 111.124 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.37 -49.2 61.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 71.34 111.085 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -53.24 -48.52 68.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.859 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -70.2 -24.08 63.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.919 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.4 mt -76.18 -44.01 39.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.933 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.0 mt -59.59 -19.05 46.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 74.52 110.946 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -86.5 5.87 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 62.05 110.883 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.97 -48.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.42 111.088 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.5 m -59.02 -31.72 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 75.43 111.148 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.72 -17.68 56.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 70.11 111.054 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 p -97.77 -20.93 17.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 72.13 110.882 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.74 80.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 65.52 112.509 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.27 -78.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 74.31 111.117 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p 57.64 20.91 6.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.873 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.65 145.83 34.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 74.21 110.963 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.49 -18.82 3.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 54.34 112.501 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.8 m -112.68 -41.43 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.52 111.133 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.0 -24.46 52.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 62.13 111.102 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -80.26 -31.43 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.873 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.52 -25.06 49.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 62.24 111.121 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.62 -16.98 56.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 64.31 111.13 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.6 pt -102.44 -25.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.31 111.097 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mp -98.26 16.5 21.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 73.0 110.936 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.77 -13.43 18.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 74.43 112.469 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -74.68 -31.77 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 74.14 111.134 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -138.59 -41.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 75.13 111.155 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -73.66 160.1 82.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.574 0.702 . . . . 72.32 110.959 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -170.63 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.265 . . . . 75.12 112.331 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.42 -27.14 11.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.08 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -70.99 -30.2 66.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.931 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.31 -26.8 31.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 71.43 111.106 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.5 mt -66.69 -40.06 88.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 73.53 110.867 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.49 -25.83 41.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.145 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -25.44 62.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.066 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.88 -27.58 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 74.3 111.118 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.32 -31.12 34.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 72.1 112.525 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.14 -73.55 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 75.21 111.06 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.54 -68.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.938 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.95 -124.55 6.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 75.13 112.5 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -71.79 -33.62 68.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.857 0.361 . . . . 74.43 111.106 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' ALA . 10.1 t 36.68 44.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.41 111.163 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.44 58.11 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.2 111.132 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.3 111.078 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.7 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.823 0.344 . . . . 73.12 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -79.7 -2.49 43.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.95 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -110.82 -35.19 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 75.51 110.915 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -70.99 -40.19 75.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 75.42 111.106 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.13 -19.85 55.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.15 111.092 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -87.02 -72.32 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.15 110.913 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -52.37 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.91 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -78.83 -70.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.859 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.11 83.08 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 71.23 112.453 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -83.54 139.7 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 70.33 111.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -75.83 70.93 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 75.54 110.857 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.75 21.18 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.51 110.909 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.83 71.13 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.01 111.084 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -52.13 -29.45 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 63.34 111.124 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 128.82 -19.92 5.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 74.54 112.492 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.7 m -109.87 -25.75 10.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.757 0.313 . . . . 65.44 111.114 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.6 77.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 75.23 111.086 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -58.17 -23.55 55.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.849 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -32.52 39.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.865 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.9 mt -74.67 -37.66 62.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.914 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.79 -16.92 53.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.94 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -101.93 -1.89 30.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 75.01 110.895 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.66 -21.63 8.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.22 111.109 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.6 m -83.46 -29.16 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.45 111.151 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.79 -23.38 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.33 111.134 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -87.73 -25.42 23.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.916 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.11 77.91 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 65.3 112.501 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.69 84.04 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 65.12 111.122 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -130.15 30.87 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.903 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.84 177.34 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 74.04 110.901 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.84 -35.63 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 63.31 112.501 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.3 m -82.71 -66.76 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.762 0.315 . . . . 71.02 111.142 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.6 -35.81 31.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 75.31 111.104 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -73.57 -38.87 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.14 110.841 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.59 -21.28 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.135 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.89 -18.32 54.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 63.53 111.106 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.8 pt -106.14 -26.2 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 75.55 111.115 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mp -97.79 15.92 22.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 73.03 110.917 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.24 -13.13 18.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 71.43 112.47 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -76.3 -31.83 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 70.33 111.177 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -138.04 -41.18 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 70.44 111.128 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.11 160.23 82.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.704 . . . . 74.24 110.91 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -171.02 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.277 . . . . 74.32 112.38 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.12 -29.67 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 61.54 111.079 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -67.82 -33.88 75.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.889 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.04 -25.97 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 72.42 111.09 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.13 -35.37 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 74.35 110.898 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.77 -26.23 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 53.12 111.133 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.41 -24.94 34.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 72.14 111.147 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.51 -25.26 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 74.34 111.104 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.42 -55.86 20.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 52.22 112.475 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.66 -57.66 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 70.35 111.084 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.8 mt -150.91 120.33 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.59 -111.8 1.76 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 61.23 112.513 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 102.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 71.21 111.104 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.07 62.2 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 72.53 111.117 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.3 23.47 13.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 71.44 111.104 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.1 111.125 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.6 mm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.89 0.376 . . . . 74.11 111.149 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -78.77 -3.46 44.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.935 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -111.17 -37.75 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 63.52 110.924 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 mp -69.5 -32.78 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 63.03 111.124 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.65 -17.76 65.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.12 111.116 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.98 -71.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.855 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -53.09 -62.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.893 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.58 -70.75 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 65.2 110.919 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.7 47.66 7.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 61.42 112.47 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.12 -73.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 71.31 111.161 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.13 63.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 60.21 110.833 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -66.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.91 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.68 72.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.085 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 t -102.41 31.07 4.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 74.41 111.182 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.24 -45.46 1.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 65.04 112.518 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -124.38 -44.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 71.4 111.106 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.44 -28.79 56.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 64.44 111.153 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -53.09 61.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.865 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -56.75 -31.99 65.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 mt -73.42 -50.17 23.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.95 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 49.6 mt -59.28 -21.38 59.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.9 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -90.96 10.83 24.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.839 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.62 -40.3 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 61.21 111.074 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.4 m -64.56 -26.9 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 75.14 111.129 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.39 -7.19 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.11 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -111.77 -22.59 11.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 63.13 110.896 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.18 -51.14 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.674 -0.774 . . . . 75.05 112.443 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.98 45.8 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 62.34 111.07 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -113.75 24.3 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 75.24 110.911 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.62 -179.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 73.22 110.898 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 157.96 -22.16 0.38 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.705 -0.76 . . . . 72.33 112.423 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.1 m -115.78 -29.84 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 74.41 111.186 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.09 -24.53 17.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 62.01 111.093 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -70.42 -30.78 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.855 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.05 -24.18 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 63.04 111.074 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.93 -15.81 56.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 71.03 111.107 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.4 pt -103.28 -28.16 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.42 111.077 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mp -93.79 14.79 18.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 75.24 110.898 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.21 -13.74 18.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 62.22 112.499 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -74.85 -31.86 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 64.55 111.121 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 t -138.17 -41.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.148 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -73.94 160.35 82.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.622 0.725 . . . . 74.22 110.902 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 73.03 112.346 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.62 -28.95 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.13 111.077 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 56.4 p-90 -68.47 -32.35 72.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 73.22 110.896 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.52 -26.76 33.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 63.42 111.117 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.35 -35.13 75.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.95 -26.36 60.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 74.25 111.1 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.85 -27.22 22.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.126 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.71 -28.51 56.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 61.54 111.088 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.07 -46.55 91.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 74.3 112.525 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.86 87.99 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 74.13 111.104 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -127.61 152.49 47.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.902 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -110.7 58.17 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 53.22 112.513 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -60.11 -33.72 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 65.24 111.046 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ALA . 9.4 t 36.85 44.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 74.35 111.124 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.62 57.86 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 60.51 111.093 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 74.44 111.084 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 39.8 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.875 0.369 . . . . 74.44 111.136 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -78.25 -3.42 42.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.911 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -107.72 -33.2 7.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 75.44 110.925 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.4 -38.18 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 75.4 111.151 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.08 -19.77 54.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 62.12 111.125 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.56 -70.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.872 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -53.85 -63.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.891 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -78.88 -71.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.868 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.44 27.83 60.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 70.02 112.488 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.89 126.47 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 75.02 111.12 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.1 m170 53.25 47.23 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.873 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 tp -81.56 -74.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.901 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.07 66.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.109 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 t -76.84 -4.53 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 60.2 111.17 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.92 -27.98 60.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 75.43 112.467 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -117.27 -20.51 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 75.02 111.129 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.59 -16.26 37.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 72.04 111.092 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -54.77 -31.63 59.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 64.34 110.864 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -39.16 33.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 72.15 110.902 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.5 mt -68.13 -42.07 80.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.921 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.21 -19.43 45.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 73.5 110.956 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -89.06 9.17 26.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.88 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.4 -46.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 73.33 111.102 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.06 -33.13 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 73.23 111.162 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -22.0 49.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.14 111.06 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 m -108.68 8.62 27.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 74.52 110.871 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.84 88.58 0.48 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 74.22 112.504 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.69 -78.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 73.25 111.103 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p 56.93 22.2 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 54.51 110.866 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.47 -174.33 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.907 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.62 -33.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 71.05 112.487 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.2 m -106.69 -27.61 10.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 74.14 111.146 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.91 -34.86 19.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 55.21 111.136 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -65.29 -37.56 87.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.3 110.874 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.95 -24.75 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.52 111.035 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.71 -17.01 58.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 72.43 111.083 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.8 pt -104.44 -21.78 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 75.13 111.132 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 mp -107.01 16.99 23.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.957 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.55 -13.82 17.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 75.34 112.519 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -73.33 -31.16 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 74.43 111.154 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -139.54 -41.2 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 74.31 111.195 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 mp -74.34 160.18 81.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 73.31 110.934 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -170.58 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 72.12 112.332 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.26 -28.26 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 71.22 111.115 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.9 p-90 -69.91 -27.84 65.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 75.55 110.87 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.77 -29.53 19.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 72.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.8 mt -62.36 -39.18 92.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 64.22 110.925 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.92 -25.14 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 71.32 111.099 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.47 -22.72 35.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 71.22 111.106 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.36 -23.33 43.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 75.41 111.081 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.12 -33.58 37.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 71.25 112.507 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.43 126.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 75.43 111.067 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 mt -157.56 178.07 10.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.925 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.54 22.91 25.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 75.3 112.519 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.81 96.85 5.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 72.03 111.095 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.8 p -98.45 -28.55 13.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 65.44 111.187 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -118.21 -16.24 9.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.087 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 75.12 111.095 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.8 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.835 0.35 . . . . 74.15 111.139 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -77.65 -3.95 43.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 73.02 110.905 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -108.95 -32.84 7.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.135 -0.484 . . . . 73.22 110.931 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.09 -30.98 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 75.4 111.118 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -19.5 63.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 75.31 111.084 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -89.24 -66.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 61.24 110.842 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -56.75 -63.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 45.25 110.873 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -76.93 -71.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.898 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.49 39.27 94.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 74.55 112.468 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.3 mt -75.28 -23.91 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.824 0.345 . . . . 72.23 111.09 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -111.2 70.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.853 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.1 tp -79.18 112.74 16.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.11 78.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.25 111.094 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.8 t -95.89 26.61 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 64.44 111.156 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.54 -84.11 1.76 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.691 -0.766 . . . . 64.4 112.483 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -106.36 -30.22 9.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 72.41 111.157 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.89 -25.96 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 74.33 111.127 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -57.35 -53.06 62.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 73.25 110.895 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -56.83 -25.18 55.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 65.22 110.879 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -83.58 -44.62 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 75.54 110.949 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -19.78 48.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.12 110.917 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -89.64 9.58 26.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 71.23 110.831 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.91 -46.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.113 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.4 m -59.14 -33.83 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 54.5 111.119 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.28 -21.84 50.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.075 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -103.82 -25.48 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.3 110.844 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.96 71.76 0.15 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.741 -0.742 . . . . 72.4 112.472 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.78 82.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 74.32 111.123 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -116.62 -3.61 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.877 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.63 144.17 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.55 -19.84 3.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 61.03 112.459 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -108.31 -38.16 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 71.14 111.147 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.01 -24.7 52.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.33 111.135 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -80.62 -33.83 35.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 74.33 110.883 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.47 -22.44 51.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.35 111.104 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.97 -15.84 56.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 63.43 111.116 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.1 pt -104.77 -29.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 62.01 111.124 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mp -95.59 17.57 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.902 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.72 -12.05 17.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 71.31 112.459 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -78.25 -31.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 75.1 111.166 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -137.56 -41.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.141 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mp -75.13 160.46 80.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.716 . . . . 74.23 110.91 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.642 2.228 . . . . 75.14 112.35 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.05 -30.47 10.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 72.13 111.089 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -67.58 -29.76 69.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 73.52 110.9 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.87 -29.8 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 72.1 111.149 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.0 -35.58 80.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.926 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.59 -25.5 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 54.11 111.141 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.32 -29.39 61.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.106 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.97 35.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 71.24 111.077 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.96 -61.25 7.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 73.54 112.515 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.83 161.7 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 73.11 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp 59.48 49.16 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.35 110.924 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.91 168.31 32.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 71.01 112.512 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.65 125.96 23.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 74.33 111.133 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -115.58 -30.02 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 71.33 111.173 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.83 -5.55 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.4 111.13 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.52 111.098 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.352 . . . . 74.44 111.114 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -77.46 -3.88 42.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 72.11 110.94 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -107.65 -32.89 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 74.05 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mt -73.78 -40.29 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 73.31 111.147 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.9 -22.06 46.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 71.33 111.143 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -86.97 -68.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.89 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.01 -63.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.925 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -80.13 -70.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.894 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.55 -67.06 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 73.32 112.484 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm 59.9 61.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.871 0.367 . . . . 74.33 111.143 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 51.56 31.07 7.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.888 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.28 140.06 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 75.21 110.928 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.8 79.52 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 42.2 111.053 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -94.77 25.35 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 73.53 111.134 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.94 -69.63 1.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 53.53 112.474 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.8 m -101.84 -33.41 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.754 0.311 . . . . 65.31 111.086 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.04 -20.43 57.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 53.14 111.091 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -56.31 -52.52 64.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.893 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.2 -26.52 60.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.867 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.8 mt -80.74 -44.52 18.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 72.52 110.891 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 mt -69.27 -12.13 61.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.939 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -98.19 3.53 48.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.849 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.04 -38.27 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.057 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.8 m -64.59 -33.9 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 73.33 111.091 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.19 -22.69 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 63.01 111.093 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -76.94 -38.99 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.44 110.911 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 163.7 82.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 70.12 112.496 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.84 103.86 8.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 60.13 111.078 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.5 t -81.12 -0.76 41.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 73.53 110.859 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.25 146.01 7.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 62.44 110.914 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.16 -34.9 0.53 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.781 -0.723 . . . . 72.53 112.466 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.62 -48.21 11.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 74.04 111.138 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.03 69.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.42 111.163 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -73.52 -29.17 62.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.866 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.65 -22.76 43.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 64.51 111.123 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.9 -12.2 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 71.33 111.042 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.0 pt -106.95 -29.06 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 71.41 111.126 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mp -96.59 17.65 15.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 64.31 110.885 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.81 -11.42 19.05 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 55.43 112.436 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -78.78 -31.94 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 74.32 111.141 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 t -137.79 -41.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.34 111.111 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mp -74.94 160.48 80.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 74.41 110.904 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 74.25 112.324 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.26 -28.78 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.23 111.081 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -68.39 -29.67 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.31 110.882 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.18 -29.28 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.12 111.06 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.73 -45.8 84.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 75.24 110.919 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.96 -34.7 64.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.22 111.111 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.43 -25.33 67.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.32 111.088 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.92 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.01 111.089 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.51 21.46 2.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 73.21 112.452 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.09 -75.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 70.1 111.052 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 mp -78.38 -71.59 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 75.01 110.888 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.37 38.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 71.04 112.489 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.33 115.33 27.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 75.41 111.116 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.0 t -115.24 -31.17 6.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.141 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.39 -15.52 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.084 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 64.24 111.131 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.0 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.818 0.342 . . . . 65.52 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -78.09 -4.0 45.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -109.7 -32.38 7.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.899 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.82 -32.54 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 75.44 111.158 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.32 -16.95 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.091 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.45 -68.57 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 64.45 110.881 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -54.37 -62.44 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.904 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -78.54 -71.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 74.13 110.869 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.77 80.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 72.21 112.469 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.6 mt -96.63 108.68 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 74.44 111.112 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 52.96 34.13 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 63.43 110.879 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.5 tp -54.11 134.22 44.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.929 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.83 78.53 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 65.25 111.091 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 t -95.22 24.67 4.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 74.2 111.13 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.28 -49.99 2.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 72.12 112.481 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -130.48 -40.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 74.13 111.156 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.22 -22.55 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 63.3 111.126 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -62.7 -48.05 80.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.846 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -59.99 -25.39 65.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.878 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.1 mt -77.23 -44.62 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 73.44 110.906 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.0 mt -66.42 -14.1 61.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.55 110.945 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -96.45 9.02 42.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.23 110.876 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.57 -40.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 73.51 111.071 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.2 m -64.86 -34.35 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.12 111.149 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.76 -24.16 33.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.15 111.062 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -75.65 -34.96 60.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 73.42 110.881 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 158.06 84.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 72.42 112.458 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.23 -41.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 65.31 111.144 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t 51.42 30.62 6.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.83 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.57 138.92 21.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 75.35 110.899 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.22 6.72 3.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 65.52 112.41 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.07 -38.16 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 70.34 111.111 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.03 -21.5 26.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 73.2 111.078 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -79.09 -31.18 44.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 71.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.1 -23.04 48.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 71.22 111.064 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.43 -13.38 56.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 62.33 111.114 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 pt -105.23 -28.96 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.51 111.128 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mp -94.96 15.9 17.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.1 110.872 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.97 -13.39 18.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 74.22 112.524 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -75.65 -31.88 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 73.25 111.123 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -137.91 -41.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.12 111.169 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.3 160.36 81.59 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.612 0.72 . . . . 74.42 110.942 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -170.78 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.762 2.308 . . . . 71.33 112.332 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.98 -33.3 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.04 111.07 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -63.87 -32.59 74.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 73.44 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.53 -27.77 27.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.073 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.6 mt -71.55 -36.77 71.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 75.54 110.922 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.18 -25.53 51.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 64.3 111.082 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.87 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.33 111.129 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.16 -37.19 74.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 63.35 111.087 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.73 -30.66 9.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 63.04 112.519 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.44 177.43 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 73.21 111.125 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -105.99 43.83 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 74.34 110.924 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.04 -47.61 0.94 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.777 -0.725 . . . . 71.42 112.453 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.27 111.29 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 74.45 111.112 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 t -115.41 -26.72 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 75.15 111.114 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.41 -4.73 7.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 74.11 111.082 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 54.43 111.1 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.4 mm . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.848 0.356 . . . . 75.45 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -80.97 -1.5 43.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.32 110.903 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -111.62 -38.17 4.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 75.24 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.8 -37.67 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 74.2 111.122 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.38 -17.03 58.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 73.33 111.088 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -86.71 -74.49 0.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -52.38 -63.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 72.01 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -77.98 -70.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.96 75.43 1.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 51.14 112.464 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mm -81.74 150.04 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 74.04 111.147 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -76.28 69.68 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 74.51 110.853 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 147.17 30.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 73.2 110.955 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.79 88.37 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 72.13 111.101 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.3 t -95.06 25.62 4.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.55 111.101 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.09 -49.38 1.25 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 73.34 112.514 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 m -115.7 -23.77 8.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.743 0.306 . . . . 70.45 111.156 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.66 -18.68 27.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 71.24 111.054 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -54.6 -37.76 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 74.24 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -64.39 -39.73 94.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.921 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.1 mt -71.0 -47.89 56.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 70.32 110.923 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.13 -24.67 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 73.54 110.909 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -82.31 1.87 34.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.844 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.52 -50.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 75.21 111.061 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 m -58.22 -28.08 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 74.41 111.084 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.28 -3.23 38.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.052 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -113.7 -20.43 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 64.52 110.839 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.83 -39.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 73.42 112.454 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.39 58.61 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 72.41 111.094 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 p -98.92 -46.98 5.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.836 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.52 148.79 4.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 73.42 110.893 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.81 -35.49 0.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.68 -0.771 . . . . 75.54 112.427 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -85.12 -46.55 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 73.25 111.133 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.87 -34.43 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 53.32 111.136 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -76.64 -31.24 57.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 75.24 110.915 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.34 -24.43 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 72.11 111.084 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.9 -18.08 51.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 72.11 111.11 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.9 pt -100.2 -27.64 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 74.54 111.083 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mp -92.97 14.43 17.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.915 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.33 -14.74 17.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 73.13 112.502 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.9 p -73.08 -31.68 36.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.911 0.386 . . . . 73.43 111.101 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -138.64 -41.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.23 111.111 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mp -73.67 160.52 81.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 74.15 110.917 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -170.51 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.634 2.223 . . . . 74.5 112.364 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.36 -28.21 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.127 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -67.76 -31.67 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.947 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.41 -24.45 44.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 71.24 111.111 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.15 -36.71 64.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.946 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.18 -25.27 55.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 73.34 111.124 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.15 63.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.12 111.08 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.46 -30.8 67.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.44 111.084 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.82 -43.66 60.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 74.32 112.524 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.77 -48.83 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.868 0.365 . . . . 74.22 111.096 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -145.13 112.01 5.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.872 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.52 -178.13 4.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 71.33 112.49 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.09 102.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 74.32 111.157 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -76.95 62.1 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 62.33 111.166 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.33 25.0 13.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 72.32 111.128 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 61.33 111.117 179.907 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.879 0.371 . . . . 70.42 111.166 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -78.89 -3.24 43.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.881 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -109.92 -34.44 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -72.32 -34.74 50.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 74.3 111.15 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.5 -18.53 65.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 74.43 111.09 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.55 -72.04 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.3 110.883 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -52.26 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.956 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -77.41 -66.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.55 110.912 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.52 67.47 2.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 73.41 112.495 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.8 mm -51.7 136.62 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 73.13 111.131 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -51.83 -37.29 51.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.89 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.39 -67.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 74.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.51 54.02 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 64.51 111.134 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -92.2 36.34 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 71.22 111.157 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.25 44.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 62.32 112.504 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 m -129.0 -55.78 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 75.14 111.179 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.62 -25.39 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 61.21 111.097 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -56.71 -51.29 69.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.873 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -56.56 -24.9 50.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.906 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.6 mt -84.67 -46.88 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.01 110.936 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.5 mt -67.75 -15.82 63.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 71.25 110.908 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -96.68 9.38 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.846 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.83 -39.91 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 73.23 111.105 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.2 m -62.37 -34.24 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 73.43 111.121 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -23.59 50.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 70.44 111.157 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -123.12 23.01 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 55.15 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.99 63.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 54.4 112.449 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.37 82.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 73.22 111.101 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.7 m -92.74 -6.1 49.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.828 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.2 -179.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 72.11 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.37 -22.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 60.22 112.482 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.6 m -113.7 -32.95 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.787 0.327 . . . . 53.35 111.143 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.35 -25.48 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.35 111.09 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -63.95 -30.0 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.882 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.5 -24.11 50.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 64.15 111.143 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.56 -16.86 55.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 74.42 111.132 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.4 pt -102.36 -28.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.35 111.136 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mp -98.02 17.62 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.937 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.39 -12.53 19.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 71.14 112.521 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -75.58 -31.61 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.403 . . . . 65.35 111.134 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -139.21 -41.39 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 73.33 111.136 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -73.89 160.4 81.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 75.1 110.891 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -170.91 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.713 2.275 . . . . 72.13 112.356 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.54 -28.64 11.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 71.43 111.094 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.1 p-90 -69.3 -29.64 67.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 54.34 110.932 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.73 -29.86 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 72.3 111.084 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.65 -39.68 92.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.932 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.98 -28.71 70.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 62.33 111.101 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.85 -24.33 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 70.33 111.115 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.74 -30.23 21.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 71.24 111.096 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.84 24.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 74.24 112.479 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.8 -178.26 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 71.04 111.142 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -51.87 121.72 7.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 75.25 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.09 -73.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 73.02 112.493 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.57 101.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 74.53 111.101 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.02 62.34 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 64.41 111.125 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.27 26.89 13.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.43 111.114 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.53 111.064 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.796 0.331 . . . . 65.13 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -81.39 -1.48 45.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.02 110.93 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -111.43 -37.83 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 73.22 110.89 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.5 mp -64.49 -37.62 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 75.34 111.139 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.43 -18.86 53.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.22 111.117 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -85.46 -71.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.845 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -56.72 -63.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.91 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -75.56 -71.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.847 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.83 85.94 1.78 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 75.24 112.473 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.9 mt -95.66 147.27 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 74.45 111.17 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -98.39 40.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 72.03 110.848 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -69.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.5 110.873 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.41 59.11 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.135 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.6 t -58.72 -18.23 29.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.54 111.157 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.99 -54.61 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 62.04 112.491 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.4 m -51.79 -70.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 72.44 111.153 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.57 -45.28 63.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 64.41 111.095 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -45.87 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.867 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -61.13 -24.28 66.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.905 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.2 mt -86.39 -49.75 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.4 110.929 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -20.29 56.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 72.31 110.871 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -99.69 -0.97 39.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.9 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.82 -16.25 9.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 75.43 111.102 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.5 m -88.47 -31.35 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 65.22 111.101 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.69 -24.77 36.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.122 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -74.24 -25.93 59.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.874 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.59 83.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 71.3 112.496 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.98 114.98 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 73.03 111.069 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 m -112.95 27.78 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 61.13 110.855 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.71 144.4 11.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 75.14 110.92 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.43 -25.51 2.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.76 . . . . 74.12 112.467 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -96.69 -43.33 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 74.53 111.157 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.81 -35.18 79.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.34 111.158 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -66.37 -28.1 68.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 73.55 110.899 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.76 -21.35 48.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 75.32 111.144 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.45 -15.19 58.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 54.44 111.069 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.9 pt -105.36 -28.32 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 73.14 111.137 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mp -98.12 13.89 29.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.897 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -106.9 -13.83 20.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 64.41 112.538 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -73.35 -30.19 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.363 . . . . 64.13 111.092 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 t -141.38 -41.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 75.23 111.154 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.36 160.37 82.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 73.11 110.906 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -170.8 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 75.2 112.336 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.96 -27.39 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 74.23 111.12 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -68.49 -30.27 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 74.31 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.62 42.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.077 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -74.24 -39.2 63.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 70.21 110.877 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.28 -24.59 59.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.14 111.105 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.68 -23.99 61.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 70.34 111.111 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.93 -25.3 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 73.04 111.113 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.65 -20.77 18.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 71.31 112.479 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.8 -75.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 65.53 111.114 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.0 mt -132.3 77.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 75.3 110.916 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.63 177.28 7.9 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 73.14 112.533 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.52 102.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 71.41 111.113 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.0 62.14 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 74.34 111.159 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.21 25.02 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 73.11 111.126 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.41 111.117 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.833 0.349 . . . . 74.12 111.135 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -77.56 -4.3 45.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.903 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -108.51 -33.73 6.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.947 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -73.23 -39.76 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 73.1 111.132 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.08 -20.36 57.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 74.1 111.101 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -88.04 -70.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.897 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -52.34 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.893 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -80.17 -70.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 64.54 110.855 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.0 -50.93 3.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 73.45 112.555 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp 54.64 56.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 73.34 111.113 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.3 m80 51.64 35.01 13.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.876 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.7 tp -54.69 131.69 44.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.31 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.06 77.51 10.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 65.2 111.073 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -94.82 25.05 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 71.32 111.175 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.07 -35.02 25.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 75.21 112.437 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.6 m -116.6 -23.42 8.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 74.24 111.14 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.02 -22.54 50.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 64.03 111.097 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -53.96 -38.1 64.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.925 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -25.07 64.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.22 110.9 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.9 mt -85.37 -51.5 6.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 54.43 110.925 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.47 -20.7 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 74.41 110.898 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -90.89 9.97 28.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 63.12 110.867 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.41 -40.31 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 73.22 111.105 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 m -60.37 -31.32 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 73.12 111.129 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.85 -23.72 66.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 70.15 111.151 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.4 t -101.2 -25.74 13.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 53.43 110.849 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.95 78.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.717 . . . . 75.21 112.53 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.79 82.46 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 63.03 111.082 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 m -92.02 -35.08 14.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.838 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.67 145.84 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 75.24 110.9 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.17 -33.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.76 . . . . 71.42 112.463 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -86.68 -49.58 7.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.748 0.309 . . . . 73.12 111.148 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.09 -39.04 65.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.07 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -69.63 -28.87 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.919 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.13 -21.04 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 75.54 111.069 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.04 -17.76 49.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 72.42 111.136 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 pt -103.36 -22.26 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.129 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mp -105.41 -16.19 14.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 75.35 110.885 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.55 3.39 85.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 73.14 112.5 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -99.88 -36.29 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 75.22 111.158 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 t -129.06 -42.0 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 73.31 111.196 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.88 163.41 68.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.633 0.73 . . . . 75.35 110.909 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -172.8 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 71.33 112.295 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.0 -38.02 9.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 71.04 111.095 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -59.66 -30.65 68.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.934 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.97 -42.44 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 75.34 111.094 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.3 mt -58.33 -31.7 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.917 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.51 -35.41 30.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 71.41 111.127 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.23 -26.28 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.2 111.098 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.39 -30.37 39.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 74.21 111.1 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.41 39.73 1.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 63.22 112.442 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.91 167.69 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 71.15 111.112 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.5 126.61 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.54 110.931 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.74 -153.48 24.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 62.01 112.466 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.2 120.71 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 73.12 111.118 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 t -121.12 -36.24 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.52 111.131 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.44 -7.78 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 72.33 111.122 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 64.11 111.128 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.4 mm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.866 0.365 . . . . 75.23 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -77.87 -5.54 51.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 72.54 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -109.19 -32.69 7.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.82 -31.95 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 72.12 111.114 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.1 -17.49 64.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.13 111.115 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -92.68 -63.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.11 110.859 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -59.36 -63.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 75.25 110.897 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -77.81 -71.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.906 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.37 83.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 73.12 112.5 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mt -92.96 62.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 75.14 111.121 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 51.38 31.09 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.856 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -17.78 58.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 72.42 110.927 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.6 57.93 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.126 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 t -63.91 -13.19 43.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 74.2 111.142 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.82 -13.87 66.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 73.41 112.498 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.4 m -99.03 -21.13 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 72.21 111.135 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.03 -22.03 23.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 61.22 111.123 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.83 -35.31 44.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.879 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -70.49 -39.79 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.917 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.95 -47.78 76.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.908 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -23.18 56.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.945 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -91.05 13.57 16.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 72.3 110.857 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.97 -40.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.41 111.106 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 m -64.7 -32.25 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 60.32 111.118 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -16.94 58.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 65.04 111.101 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -120.68 13.89 11.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 74.15 110.829 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.98 78.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 63.21 112.475 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.75 82.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 74.51 111.092 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.49 -39.08 12.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 74.34 110.87 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.59 144.44 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 63.41 110.936 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.7 -33.39 0.61 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 63.32 112.503 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.01 -48.47 9.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 75.41 111.143 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.9 85.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 73.15 111.102 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -66.57 -30.8 71.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.886 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.56 -22.89 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 71.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -17.14 51.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 72.02 111.114 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.3 pt -101.96 -25.64 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 72.22 111.111 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mp -96.72 15.95 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 73.03 110.903 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.78 -12.14 19.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 63.4 112.464 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -78.26 -32.07 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 74.3 111.109 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -137.18 -40.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 74.01 111.186 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.01 160.54 80.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 74.33 110.907 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -170.87 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 73.31 112.307 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.22 -29.62 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 75.43 111.089 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -66.68 -31.39 72.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.903 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.11 -29.51 22.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 74.3 111.09 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.96 -38.12 82.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.898 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.96 -26.34 66.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 64.33 111.098 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.19 -26.72 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.134 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.39 -25.8 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.18 19.63 48.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 71.45 112.487 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.94 -65.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 72.32 111.067 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.9 -70.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.927 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.43 143.21 4.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 65.14 112.493 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.86 101.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 75.11 111.084 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 t -77.01 62.49 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 70.22 111.114 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.09 27.17 14.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.14 111.094 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.52 111.094 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 38.2 mm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.779 0.323 . . . . 72.14 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -78.47 -3.66 44.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 72.25 110.911 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -108.39 -31.97 7.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 75.41 110.966 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.86 -32.78 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.12 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.83 -19.43 64.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 62.2 111.129 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -87.17 -65.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.874 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -59.06 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 72.55 110.916 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -75.83 -64.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.921 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.37 86.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 73.42 112.512 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.23 107.73 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 74.14 111.172 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.22 105.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 62.1 110.865 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.9 tp -140.08 -75.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 73.3 110.883 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 51.97 67.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 71.54 111.058 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 t -72.07 -9.39 58.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 71.13 111.131 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.23 -14.65 63.09 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.686 -0.768 . . . . 74.31 112.504 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.3 m -105.4 -21.13 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 73.33 111.105 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.61 -48.61 18.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.34 111.102 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -53.92 -27.42 30.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.922 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -68.01 -32.04 72.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.54 110.906 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.1 mt -70.41 -47.07 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 64.34 110.91 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.6 -19.27 47.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 70.53 110.885 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -93.66 12.83 24.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.855 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.24 -41.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 74.31 111.137 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.4 m -63.02 -32.2 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.22 111.117 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.77 -15.83 59.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 71.41 111.114 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m -126.74 17.74 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.19 65.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 55.41 112.529 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.67 82.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 64.11 111.128 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 t -106.01 -35.3 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.847 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.17 143.13 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 64.53 110.937 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.79 -35.01 0.46 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 74.52 112.477 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -79.46 -52.61 7.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 74.21 111.093 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.01 -34.97 61.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 63.41 111.121 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -70.98 -28.35 64.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 61.14 110.884 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.24 -22.08 45.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 75.21 111.074 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.14 -16.74 52.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 62.31 111.092 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.1 pt -100.61 -22.35 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 75.45 111.095 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mp -97.55 14.37 26.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 72.55 110.904 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.54 -14.43 17.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 74.22 112.491 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p -74.13 -31.94 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.925 0.393 . . . . 74.14 111.133 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 t -137.36 -41.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.52 111.137 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mp -74.68 160.46 80.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 71.52 110.934 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -170.8 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 74.31 112.341 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.66 -30.63 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.106 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -65.26 -31.68 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.83 -26.65 58.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.35 111.1 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.2 mt -72.67 -34.82 67.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.936 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.81 -28.44 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.5 111.132 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.69 -25.33 59.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.33 111.082 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.6 -26.64 27.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.125 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.64 -58.65 11.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 71.35 112.491 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.83 -55.6 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 75.42 111.072 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.25 144.23 31.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 63.02 110.958 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.86 139.75 20.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.77 -0.729 . . . . 74.5 112.453 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.61 101.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 74.13 111.103 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.01 62.15 2.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 65.22 111.167 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.29 26.32 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 72.33 111.094 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 65.23 111.111 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.873 0.368 . . . . 72.51 111.119 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.3 -4.45 45.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.929 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -106.2 -31.99 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mt -72.24 -39.43 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.04 111.092 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.15 -16.54 60.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 71.25 111.087 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -88.11 -61.61 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 65.54 110.886 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -67.25 -64.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -71.88 -61.68 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.835 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.28 73.35 0.51 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 54.23 112.504 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.1 mm -66.36 151.58 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 73.22 111.134 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -52.08 -28.8 18.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 71.24 110.836 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.2 -46.67 62.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 65.42 110.929 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.33 56.26 1.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.13 111.12 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.6 t -93.14 35.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 71.24 111.178 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.39 -45.16 1.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 72.12 112.485 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 m -54.08 -62.5 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 65.53 111.136 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -33.49 73.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 111.096 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -56.87 -51.6 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.85 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -62.88 -26.81 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 75.55 110.917 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.5 mt -75.29 -44.47 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.881 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.5 mt -69.09 -13.62 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 75.45 110.889 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -97.63 8.2 45.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 71.11 110.852 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.09 -39.59 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 75.11 111.104 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 m -64.18 -33.51 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 74.31 111.143 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -22.02 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 63.24 111.114 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -77.77 -39.27 44.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.87 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.12 82.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.474 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.92 105.17 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 63.1 111.073 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -86.09 4.37 38.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.12 110.861 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.52 143.75 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.948 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.55 -33.73 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 73.01 112.479 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -83.87 -49.6 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 73.13 111.121 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.42 -36.74 66.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.31 111.074 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -75.9 -29.79 58.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 74.02 110.863 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.75 -22.45 46.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 71.44 111.075 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.8 -16.15 56.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 73.03 111.116 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.4 pt -104.36 -29.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 75.15 111.167 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mp -98.24 17.98 17.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.885 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.75 -10.17 23.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 63.43 112.462 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 p -78.34 -31.21 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 72.14 111.153 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -139.91 -41.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 63.14 111.169 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -73.72 160.58 81.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.631 0.729 . . . . 75.03 110.907 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -170.8 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.653 2.235 . . . . 75.51 112.329 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.8 -29.79 10.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.135 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -67.76 -33.16 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.949 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.98 -25.18 42.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 73.25 111.098 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.3 mt -71.41 -36.58 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 72.22 110.915 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.73 -25.35 41.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 63.42 111.091 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.88 -37.24 62.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 73.35 111.135 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.84 24.1 5.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.3 111.118 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.26 -39.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.65 -0.786 . . . . 64.45 112.449 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.18 -53.06 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 71.21 111.071 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.9 tp -169.69 135.34 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.96 -143.24 10.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 72.53 112.544 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.57 110.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 73.44 111.14 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 t -116.44 -25.0 7.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 72.55 111.178 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.09 -14.64 9.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 64.44 111.142 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.14 111.098 179.926 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.5 mm . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.87 0.367 . . . . 72.5 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -80.05 -2.2 43.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 75.05 110.942 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -111.04 -35.04 6.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 71.25 110.926 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.0 -37.99 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.43 111.147 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.97 -19.25 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 60.4 111.113 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -87.66 -69.06 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.834 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -56.62 -62.96 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 62.5 110.938 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -77.13 -71.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.834 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.51 92.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 70.14 112.486 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.07 80.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 71.5 111.112 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.4 m170 58.93 25.5 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 75.14 110.827 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.07 141.74 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.911 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.35 76.42 10.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 74.31 111.069 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 t -94.91 31.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 72.22 111.112 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.21 -34.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 75.2 112.479 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -104.13 -66.95 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 74.41 111.15 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.92 -22.99 28.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 74.34 111.158 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.03 -35.25 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.864 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -33.64 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.918 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.79 -43.37 93.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.893 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.35 -13.6 60.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.13 110.912 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -102.69 -2.27 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 54.42 110.819 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -118.61 -26.97 6.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.079 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -77.17 -31.36 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 70.23 111.18 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.05 -22.88 42.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.34 111.051 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -74.92 -33.62 62.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 64.32 110.84 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.93 78.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 65.5 112.5 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.42 115.48 6.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 73.44 111.099 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.7 p -117.27 37.8 3.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 60.53 110.852 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.09 143.57 13.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 64.35 110.909 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.13 -18.74 4.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.781 -0.723 . . . . 53.14 112.493 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.5 m -107.85 -41.59 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 73.35 111.108 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.18 -29.39 48.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 51.5 111.112 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -72.3 -25.7 61.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.886 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.0 -20.35 45.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 72.4 111.141 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.48 -16.68 51.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 71.11 111.107 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.0 pt -105.28 -23.94 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 63.01 111.113 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mp -102.27 -18.54 15.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 73.4 110.925 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.68 3.27 87.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.732 . . . . 74.43 112.485 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -98.59 -35.65 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.391 . . . . 74.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 t -131.39 -41.73 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.107 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.25 163.41 67.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 74.51 110.898 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -173.15 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.622 2.215 . . . . 72.45 112.334 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.48 -47.7 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 75.12 111.105 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -53.59 -32.47 51.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 74.35 110.924 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.0 -40.37 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.34 111.041 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.1 mt -52.24 -42.31 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.26 -0.427 . . . . 75.51 110.918 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.32 -25.1 61.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 72.4 111.097 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.41 -24.43 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 65.11 111.121 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.69 -42.4 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.42 111.08 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.28 -79.13 0.46 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.742 . . . . 75.43 112.534 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.39 155.07 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 63.21 111.098 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -51.92 143.07 14.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.902 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.81 -79.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 50.41 112.507 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.39 100.38 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 71.34 111.094 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -77.02 63.23 2.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.093 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.24 25.44 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 53.22 111.108 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 64.41 111.073 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 39.0 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.879 0.371 . . . . 70.01 111.15 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -80.89 -2.77 48.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.925 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -112.97 -40.71 3.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 75.13 110.909 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.88 -38.54 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 74.45 111.09 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.06 62.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.084 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -86.53 -73.56 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 75.44 110.867 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -51.5 -62.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.05 110.858 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -77.79 -63.12 1.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 72.31 110.863 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.3 74.32 0.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 74.4 112.531 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.2 mm -66.19 149.94 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 73.34 111.131 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -77.93 59.23 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.799 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.9 tp -107.39 148.29 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.912 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.67 64.18 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.01 111.115 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -93.66 20.18 7.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.24 111.144 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.56 -29.38 73.94 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 65.51 112.44 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.4 m -72.17 -45.38 60.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 73.31 111.141 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.63 -22.1 63.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 75.31 111.102 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -46.82 65.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.906 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -60.49 -26.0 66.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.919 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.4 mt -84.56 -44.9 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.893 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.47 -19.76 50.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 74.03 110.886 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -87.93 7.48 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.876 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.12 -47.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 75.35 111.097 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.44 -32.79 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.22 111.127 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.25 -20.72 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.42 111.104 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -108.82 6.17 25.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 70.21 110.868 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.12 -73.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 71.33 112.465 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.24 63.58 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 75.22 111.086 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -110.35 -34.85 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.867 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.03 144.71 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 74.12 110.917 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.32 -22.84 3.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 63.02 112.476 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -102.11 -39.21 7.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.796 0.331 . . . . 73.51 111.168 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.14 -27.43 62.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 63.1 111.139 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -81.57 -30.37 33.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.889 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.79 -24.37 44.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 73.41 111.088 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.7 -15.83 55.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 60.42 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.8 pt -102.2 -26.3 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.082 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mp -96.46 16.32 18.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.938 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.89 -13.51 17.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.782 -0.723 . . . . 73.2 112.517 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -75.21 -31.92 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 70.21 111.154 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -137.83 -41.01 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 74.24 111.131 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.69 160.24 81.39 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.608 0.718 . . . . 75.21 110.844 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 74.34 112.375 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.63 -28.53 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 75.35 111.132 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -69.86 -33.74 72.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.927 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.54 -30.18 19.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 63.23 111.113 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.19 -39.77 93.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.931 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.87 -24.73 52.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 74.3 111.121 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.67 -22.6 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.24 111.066 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.17 -29.58 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 62.05 111.056 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.17 -24.89 42.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 75.41 112.478 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.74 -73.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 54.34 111.138 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.07 -41.76 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.913 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.96 -174.44 43.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 75.44 112.479 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -54.67 -30.95 56.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 75.03 111.078 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' ALA . 10.3 t 36.81 44.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.04 111.143 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.63 57.68 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 71.11 111.078 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 63.42 111.135 179.898 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.3 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.819 0.343 . . . . 73.54 111.127 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -78.64 -3.94 46.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -109.22 -33.94 6.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.502 . . . . 72.25 110.93 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -71.13 -39.28 73.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 75.31 111.102 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.61 -21.75 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 64.33 111.077 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.73 -71.02 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 64.22 110.844 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -53.77 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 72.54 110.922 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -79.32 -71.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 70.41 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.24 66.14 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 73.31 112.511 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -71.58 142.53 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 73.11 111.123 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -75.9 68.5 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.02 110.839 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.23 148.41 41.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 71.42 110.892 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.65 79.92 2.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 71.12 111.048 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -67.4 -21.6 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 54.03 111.12 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.02 -33.01 36.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 72.34 112.513 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.6 m -118.21 -34.52 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 74.13 111.177 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.53 -24.39 46.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 71.03 111.139 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -52.12 -48.15 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.898 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -25.31 61.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.844 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.0 mt -72.68 -45.45 58.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 75.1 110.909 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.21 -19.65 47.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.912 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.45 13.23 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.01 110.858 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.7 -41.16 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 62.41 111.115 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.7 m -64.25 -33.38 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.32 111.106 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.82 -22.27 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.31 111.133 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -99.82 -28.58 13.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.882 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.23 78.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 75.31 112.494 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.03 83.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 72.24 111.137 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 p -128.34 12.02 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.891 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.2 144.04 54.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 73.3 110.924 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.42 -21.2 3.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 72.43 112.459 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -107.08 -41.72 5.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 74.11 111.164 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.55 -24.58 58.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.4 111.088 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -84.46 -26.45 28.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.21 110.879 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.3 -21.25 33.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 73.22 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.87 -5.73 58.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 55.54 111.09 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.4 pt -115.94 -26.25 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 72.41 111.12 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mp -107.91 -12.75 15.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.896 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.49 6.09 80.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 70.14 112.44 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.3 -37.98 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 75.31 111.152 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 t -124.48 -36.76 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.5 111.175 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.07 163.81 53.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 73.33 110.898 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -179.52 2.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.626 2.217 . . . . 74.43 112.365 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.02 -43.46 11.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 73.13 111.077 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.0 p-90 -55.9 -31.49 62.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.945 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.37 -39.19 60.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.125 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.3 mt -69.04 -31.26 69.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 73.33 110.883 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.3 -26.07 51.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 63.14 111.133 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.61 -25.16 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 71.22 111.08 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.94 -25.28 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 72.55 111.075 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -78.28 -19.68 73.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 73.15 112.46 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.57 -65.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 73.34 111.12 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.3 mt -75.21 -41.88 56.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 64.02 110.964 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.99 174.96 20.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.74 . . . . 73.34 112.483 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.04 -25.61 61.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 72.15 111.075 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.1 p 51.55 29.08 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 73.12 111.135 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 66.67 35.97 4.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 72.24 111.09 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.01 111.081 179.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.7 mm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.817 0.341 . . . . 75.21 111.107 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -78.74 -3.05 42.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 72.12 110.921 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -109.44 -33.16 6.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 75.43 110.959 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.01 -37.63 47.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 73.33 111.193 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.66 -18.24 61.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 72.11 111.141 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -91.05 -60.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 73.2 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -62.97 -64.14 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.943 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -77.09 -66.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 74.03 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.56 69.06 1.37 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 73.21 112.449 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -51.4 127.7 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 64.52 111.132 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -55.3 -43.8 75.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.816 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.2 tp -51.83 149.63 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 73.03 110.959 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.32 60.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.2 111.112 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -94.96 35.07 1.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 71.4 111.125 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.13 64.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 73.54 112.473 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.7 m -63.13 -20.61 65.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 62.42 111.121 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.13 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 71.44 111.102 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -52.24 -45.0 65.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 75.44 110.927 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -69.44 -23.57 63.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.32 110.876 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.6 mt -80.12 -45.42 18.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.916 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.0 mt -65.95 -14.0 60.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 74.15 110.916 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -102.51 -3.05 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 63.54 110.877 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.66 -25.4 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 73.31 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.5 m -77.47 -31.17 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 73.4 111.134 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.41 -23.47 38.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 53.14 111.146 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -73.41 -35.35 65.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 71.13 110.86 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 165.35 75.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.757 . . . . 73.13 112.483 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.52 118.75 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 52.14 111.081 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.9 m -89.09 49.32 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.848 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.73 145.11 16.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 75.42 110.889 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.21 -34.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 75.03 112.527 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -94.84 -23.61 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 72.25 111.144 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.39 -27.31 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 70.15 111.1 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -57.22 -25.69 59.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.881 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.75 -19.05 38.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.2 111.097 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.05 -9.51 59.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.065 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 pt -109.55 -26.71 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 73.12 111.139 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.81 -12.81 15.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 70.52 110.946 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.45 5.95 80.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 70.45 112.521 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.21 -37.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 61.02 111.103 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.5 t -124.42 -36.81 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.33 111.13 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.05 163.77 53.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 74.32 110.895 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -170.57 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.263 . . . . 71.14 112.326 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.01 -32.98 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 55.51 111.05 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -66.91 -28.59 68.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 74.2 110.94 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.6 -41.98 61.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 72.43 111.127 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.8 mt -52.33 -40.54 62.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.84 -24.5 38.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 71.24 111.154 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.86 -21.63 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 74.12 111.11 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.53 -30.1 19.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 63.13 111.116 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.03 -78.24 0.15 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 22.41 112.484 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.83 108.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 64.54 111.055 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -133.38 -74.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 74.5 110.902 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -130.81 -98.13 0.78 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 65.13 112.51 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.89 77.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 52.2 111.097 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.2 t -93.0 -24.58 18.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.143 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.51 -8.87 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 71.12 111.098 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 64.24 111.06 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 43.9 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.854 0.359 . . . . 74.04 111.124 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -75.8 -7.14 53.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.92 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -109.22 -33.41 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 75.34 110.947 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.5 -34.22 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.146 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.54 -18.25 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 64.25 111.086 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -91.98 -62.24 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 70.1 110.868 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.41 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 64.15 110.866 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -78.13 -70.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.91 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.19 81.92 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.76 -0.733 . . . . 72.04 112.454 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.4 mp -97.0 -72.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 62.33 111.144 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -116.36 -27.23 6.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.02 110.859 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -68.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 70.21 110.934 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.88 56.67 3.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 71.24 111.093 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.8 t -93.43 35.94 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 63.43 111.133 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.48 -42.47 2.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 64.34 112.498 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -68.13 -66.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 62.24 111.099 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.61 20.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 74.43 111.124 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -55.13 -42.7 73.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -75.05 -24.58 58.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.891 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.4 mt -75.9 -45.39 35.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.937 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.6 mt -59.16 -19.48 45.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 73.4 110.971 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -89.14 8.79 28.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 74.34 110.824 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.61 -46.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.24 111.101 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.4 m -59.92 -33.79 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 73.15 111.158 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.0 -21.7 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.54 111.125 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 m -97.65 -20.65 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 70.15 110.883 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.75 -68.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 65.23 112.5 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.66 66.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 72.2 111.086 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.0 t -155.0 24.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.53 110.864 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.68 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 54.42 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.27 -6.57 59.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 65.45 112.485 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.9 m -128.99 -42.06 1.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 73.33 111.154 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.9 -25.02 20.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.111 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -71.73 -39.96 69.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.926 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.37 -20.91 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.32 111.09 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.48 -19.76 41.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 54.45 111.103 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.2 pt -101.56 -21.4 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.44 111.096 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mp -101.84 13.95 33.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.932 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.37 -14.06 19.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 72.31 112.535 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -73.59 -30.82 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 72.24 111.122 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -140.59 -41.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 70.12 111.132 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mp -72.31 160.36 82.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 73.35 110.879 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.62 2.213 . . . . 75.32 112.328 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.54 -26.2 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 75.52 111.092 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -71.27 -30.99 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.945 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.62 -28.51 21.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 70.23 111.146 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.3 mt -64.24 -33.41 75.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.72 -25.98 34.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.078 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.17 -34.85 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 62.32 111.1 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.12 -29.46 21.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.01 111.151 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.37 -41.88 99.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 71.22 112.444 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.59 -69.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 71.03 111.104 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.6 tp -159.85 142.92 13.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 63.44 110.904 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.11 -115.72 0.38 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.815 -0.707 . . . . 74.23 112.522 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.32 110.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 74.22 111.1 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.3 p -80.48 57.02 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 64.32 111.122 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 66.88 23.2 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 63.43 111.092 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 63.44 111.075 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 45.3 mm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.87 0.367 . . . . 75.21 111.129 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -78.8 -5.62 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.926 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -107.17 -30.56 8.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 74.32 110.89 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -74.83 -34.04 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 74.23 111.086 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.76 -15.55 61.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 71.11 111.111 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -90.57 -73.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -51.74 -63.18 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.904 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -78.89 -70.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.915 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.57 85.11 0.95 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 73.42 112.518 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.32 63.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 74.03 111.122 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -150.72 105.25 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 64.44 110.88 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.76 18.98 20.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.904 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.18 59.7 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 72.51 111.072 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -94.4 36.0 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 74.04 111.157 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -124.55 -45.46 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 64.42 112.491 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.1 m -117.7 -27.34 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 65.12 111.185 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.51 -25.2 61.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.45 111.116 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -55.88 -44.71 78.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.873 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -17.44 62.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 mt -93.35 -47.93 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 73.25 110.904 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.54 -28.85 65.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.935 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -87.5 7.11 30.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.858 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.47 -34.08 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 71.41 111.106 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 m -72.77 -26.89 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 72.2 111.167 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.4 -9.7 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.092 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.3 t -114.85 -1.14 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 73.51 110.846 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.35 -59.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 75.5 112.481 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.62 55.25 4.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 75.3 111.08 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t -119.52 -30.99 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 75.51 110.89 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.47 146.91 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 75.14 110.891 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.8 -34.76 0.47 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 64.41 112.508 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -83.42 -50.21 8.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 74.25 111.111 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.32 61.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 71.32 111.073 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -71.95 -29.85 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.03 110.866 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.37 -22.82 40.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.42 111.112 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.89 -13.77 59.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 62.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.1 pt -106.59 -29.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.15 111.128 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mp -91.3 12.81 19.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 75.33 110.918 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.24 -14.37 18.66 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 63.24 112.487 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -74.48 -32.05 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.961 0.41 . . . . 74.43 111.138 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 t -137.67 -41.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.128 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.69 160.47 82.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 74.14 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 72.54 112.382 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.34 -25.1 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.41 111.093 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -72.51 -29.06 63.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.92 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.73 -29.87 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 74.13 111.102 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.55 -42.95 77.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.898 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.91 -25.71 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.135 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.47 63.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 65.41 111.085 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.91 -27.13 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 64.33 111.076 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.32 -51.97 2.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 71.21 112.469 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.54 -55.57 33.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 70.41 111.112 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.3 tp -79.21 -54.83 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 75.4 110.933 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.15 -35.09 3.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.7 -0.762 . . . . 75.31 112.478 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 55.93 85.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 73.41 111.099 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 t -74.99 71.16 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 70.1 111.168 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.08 19.93 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.109 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 75.03 111.107 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 49.5 mm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.863 0.363 . . . . 74.41 111.144 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -66.61 -13.94 61.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 72.2 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -108.59 -35.1 6.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 74.31 110.88 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -73.73 -33.69 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 72.31 111.146 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.02 -19.09 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 73.03 111.11 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -90.38 -66.27 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.886 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -56.91 -62.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.939 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -77.52 -70.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 73.42 110.894 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.35 86.03 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 71.23 112.453 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mp -114.16 127.02 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.89 0.376 . . . . 75.41 111.121 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.0 m170 52.44 37.64 23.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.869 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.3 tp -53.55 129.4 32.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.937 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.91 79.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 64.31 111.051 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 t -64.62 -15.33 61.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.186 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.02 -13.8 32.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 72.23 112.48 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 m -118.55 -68.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 75.41 111.124 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.37 -49.2 61.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 71.34 111.085 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -53.24 -48.52 68.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.859 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -70.2 -24.08 63.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.919 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.4 mt -76.18 -44.01 39.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.933 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.0 mt -59.59 -19.05 46.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 74.52 110.946 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -86.5 5.87 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 62.05 110.883 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.97 -48.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.42 111.088 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.5 m -59.02 -31.72 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 75.43 111.148 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.72 -17.68 56.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 70.11 111.054 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 p -97.77 -20.93 17.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 72.13 110.882 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.74 80.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 65.52 112.509 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.27 -78.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 74.31 111.117 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p 57.64 20.91 6.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.873 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.65 145.83 34.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 74.21 110.963 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.49 -18.82 3.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 54.34 112.501 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.8 m -112.68 -41.43 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.52 111.133 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.0 -24.46 52.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 62.13 111.102 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -80.26 -31.43 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.873 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.52 -25.06 49.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 62.24 111.121 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.62 -16.98 56.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 64.31 111.13 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.6 pt -102.44 -25.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.31 111.097 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mp -98.26 16.5 21.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 73.0 110.936 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.77 -13.43 18.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 74.43 112.469 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -74.68 -31.77 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 74.14 111.134 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -138.59 -41.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 75.13 111.155 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -73.66 160.1 82.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.574 0.702 . . . . 72.32 110.959 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -170.63 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.265 . . . . 75.12 112.331 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.42 -27.14 11.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.08 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -70.99 -30.2 66.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.931 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.31 -26.8 31.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 71.43 111.106 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.5 mt -66.69 -40.06 88.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 73.53 110.867 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.49 -25.83 41.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.145 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -25.44 62.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.066 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.88 -27.58 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 74.3 111.118 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.32 -31.12 34.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 72.1 112.525 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.14 -73.55 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 75.21 111.06 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.54 -68.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.938 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.95 -124.55 6.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 75.13 112.5 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -71.79 -33.62 68.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.857 0.361 . . . . 74.43 111.106 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' ALA . 10.1 t 36.68 44.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.41 111.163 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.44 58.11 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.2 111.132 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.3 111.078 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.7 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.823 0.344 . . . . 73.12 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -79.7 -2.49 43.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.95 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -110.82 -35.19 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 75.51 110.915 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 mp -70.99 -40.19 75.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 75.42 111.106 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.13 -19.85 55.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.15 111.092 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -87.02 -72.32 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.15 110.913 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -52.37 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.91 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -78.83 -70.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.859 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.11 83.08 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 71.23 112.453 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -83.54 139.7 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 70.33 111.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -75.83 70.93 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 75.54 110.857 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.75 21.18 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.51 110.909 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.83 71.13 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.01 111.084 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -52.13 -29.45 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 63.34 111.124 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 128.82 -19.92 5.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 74.54 112.492 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.7 m -109.87 -25.75 10.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.757 0.313 . . . . 65.44 111.114 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.6 77.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 75.23 111.086 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -58.17 -23.55 55.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.849 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -32.52 39.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.865 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.9 mt -74.67 -37.66 62.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.914 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.79 -16.92 53.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.94 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -101.93 -1.89 30.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 75.01 110.895 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.66 -21.63 8.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.22 111.109 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.6 m -83.46 -29.16 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.45 111.151 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.79 -23.38 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.33 111.134 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -87.73 -25.42 23.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.916 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.11 77.91 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 65.3 112.501 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.69 84.04 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 65.12 111.122 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -130.15 30.87 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.903 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.84 177.34 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 74.04 110.901 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.84 -35.63 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 63.31 112.501 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.3 m -82.71 -66.76 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.762 0.315 . . . . 71.02 111.142 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.6 -35.81 31.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 75.31 111.104 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -73.57 -38.87 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.14 110.841 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.59 -21.28 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.135 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.89 -18.32 54.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 63.53 111.106 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.8 pt -106.14 -26.2 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 75.55 111.115 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mp -97.79 15.92 22.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 73.03 110.917 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.24 -13.13 18.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 71.43 112.47 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -76.3 -31.83 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 70.33 111.177 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -138.04 -41.18 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 70.44 111.128 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.11 160.23 82.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.704 . . . . 74.24 110.91 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -171.02 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.277 . . . . 74.32 112.38 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.12 -29.67 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 61.54 111.079 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -67.82 -33.88 75.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.889 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.04 -25.97 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 72.42 111.09 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.13 -35.37 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 74.35 110.898 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.77 -26.23 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 53.12 111.133 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.41 -24.94 34.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 72.14 111.147 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.51 -25.26 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 74.34 111.104 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.42 -55.86 20.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 52.22 112.475 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.66 -57.66 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 70.35 111.084 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.8 mt -150.91 120.33 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.59 -111.8 1.76 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 61.23 112.513 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 102.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 71.21 111.104 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.07 62.2 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 72.53 111.117 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.3 23.47 13.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 71.44 111.104 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.1 111.125 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.6 mm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.89 0.376 . . . . 74.11 111.149 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -78.77 -3.46 44.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.935 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -111.17 -37.75 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 63.52 110.924 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 mp -69.5 -32.78 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 63.03 111.124 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.65 -17.76 65.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.12 111.116 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.98 -71.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.855 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -53.09 -62.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.893 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.58 -70.75 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 65.2 110.919 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.7 47.66 7.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 61.42 112.47 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.12 -73.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 71.31 111.161 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.13 63.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 60.21 110.833 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -66.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.91 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.68 72.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.085 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 t -102.41 31.07 4.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 74.41 111.182 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.24 -45.46 1.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 65.04 112.518 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -124.38 -44.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 71.4 111.106 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.44 -28.79 56.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 64.44 111.153 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -53.09 61.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.865 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -56.75 -31.99 65.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 mt -73.42 -50.17 23.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.95 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 49.6 mt -59.28 -21.38 59.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.9 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -90.96 10.83 24.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.839 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.62 -40.3 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 61.21 111.074 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.4 m -64.56 -26.9 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 75.14 111.129 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.39 -7.19 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.11 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -111.77 -22.59 11.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 63.13 110.896 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.18 -51.14 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.674 -0.774 . . . . 75.05 112.443 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.98 45.8 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 62.34 111.07 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -113.75 24.3 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 75.24 110.911 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.62 -179.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 73.22 110.898 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 157.96 -22.16 0.38 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.705 -0.76 . . . . 72.33 112.423 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.1 m -115.78 -29.84 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 74.41 111.186 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.09 -24.53 17.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 62.01 111.093 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -70.42 -30.78 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.855 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.05 -24.18 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 63.04 111.074 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.93 -15.81 56.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 71.03 111.107 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.4 pt -103.28 -28.16 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.42 111.077 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mp -93.79 14.79 18.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 75.24 110.898 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.21 -13.74 18.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 62.22 112.499 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -74.85 -31.86 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 64.55 111.121 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 t -138.17 -41.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.148 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mp -73.94 160.35 82.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.622 0.725 . . . . 74.22 110.902 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 73.03 112.346 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.62 -28.95 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.13 111.077 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 56.4 p-90 -68.47 -32.35 72.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 73.22 110.896 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.52 -26.76 33.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 63.42 111.117 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.35 -35.13 75.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.95 -26.36 60.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 74.25 111.1 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.85 -27.22 22.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.126 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.71 -28.51 56.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 61.54 111.088 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.07 -46.55 91.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 74.3 112.525 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.86 87.99 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 74.13 111.104 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -127.61 152.49 47.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.902 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -110.7 58.17 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 53.22 112.513 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -60.11 -33.72 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 65.24 111.046 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ALA . 9.4 t 36.85 44.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 74.35 111.124 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.62 57.86 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 60.51 111.093 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 74.44 111.084 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 39.8 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.875 0.369 . . . . 74.44 111.136 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -78.25 -3.42 42.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.911 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -107.72 -33.2 7.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 75.44 110.925 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.4 -38.18 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 75.4 111.151 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.08 -19.77 54.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 62.12 111.125 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.56 -70.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.872 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -53.85 -63.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.891 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -78.88 -71.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.868 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.44 27.83 60.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 70.02 112.488 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.89 126.47 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 75.02 111.12 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.1 m170 53.25 47.23 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.873 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 tp -81.56 -74.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.901 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.07 66.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.109 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 t -76.84 -4.53 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 60.2 111.17 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.92 -27.98 60.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 75.43 112.467 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -117.27 -20.51 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 75.02 111.129 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.59 -16.26 37.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 72.04 111.092 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -54.77 -31.63 59.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 64.34 110.864 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -39.16 33.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 72.15 110.902 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.5 mt -68.13 -42.07 80.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.921 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.21 -19.43 45.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 73.5 110.956 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -89.06 9.17 26.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.88 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.4 -46.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 73.33 111.102 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.06 -33.13 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 73.23 111.162 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -22.0 49.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.14 111.06 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 m -108.68 8.62 27.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 74.52 110.871 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.84 88.58 0.48 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 74.22 112.504 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.69 -78.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 73.25 111.103 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p 56.93 22.2 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 54.51 110.866 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.47 -174.33 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.907 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.62 -33.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 71.05 112.487 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.2 m -106.69 -27.61 10.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 74.14 111.146 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.91 -34.86 19.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 55.21 111.136 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -65.29 -37.56 87.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.3 110.874 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.95 -24.75 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.52 111.035 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.71 -17.01 58.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 72.43 111.083 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.8 pt -104.44 -21.78 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 75.13 111.132 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 mp -107.01 16.99 23.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.957 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.55 -13.82 17.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 75.34 112.519 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -73.33 -31.16 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 74.43 111.154 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -139.54 -41.2 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 74.31 111.195 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 mp -74.34 160.18 81.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 73.31 110.934 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -170.58 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 72.12 112.332 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.26 -28.26 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 71.22 111.115 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.9 p-90 -69.91 -27.84 65.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 75.55 110.87 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.77 -29.53 19.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 72.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.8 mt -62.36 -39.18 92.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 64.22 110.925 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.92 -25.14 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 71.32 111.099 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.47 -22.72 35.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 71.22 111.106 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.36 -23.33 43.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 75.41 111.081 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.12 -33.58 37.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 71.25 112.507 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.43 126.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 75.43 111.067 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 mt -157.56 178.07 10.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.925 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.54 22.91 25.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 75.3 112.519 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.81 96.85 5.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 72.03 111.095 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.8 p -98.45 -28.55 13.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 65.44 111.187 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -118.21 -16.24 9.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.087 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 75.12 111.095 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.8 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.835 0.35 . . . . 70.12 111.139 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -77.65 -3.95 43.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 62.42 110.905 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -108.95 -32.84 7.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.135 -0.484 . . . . 70.3 110.931 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.8 mp -75.09 -30.98 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 75.4 111.118 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -19.5 63.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 75.31 111.084 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -89.24 -66.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 61.24 110.842 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -56.75 -63.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 45.25 110.873 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -76.93 -71.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.898 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.49 39.27 94.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 61.25 112.468 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.3 mt -75.28 -23.91 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.824 0.345 . . . . 61.41 111.09 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -111.2 70.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.853 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.1 tp -79.18 112.74 16.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 62.13 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.11 78.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.25 111.094 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.8 t -95.89 26.61 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 64.44 111.156 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.54 -84.11 1.76 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.691 -0.766 . . . . 60.02 112.483 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -106.36 -30.22 9.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 63.24 111.157 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.89 -25.96 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 55.2 111.127 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -57.35 -53.06 62.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 70.42 110.895 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -56.83 -25.18 55.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 52.25 110.879 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -83.58 -44.62 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.54 110.949 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' HA ' HG22 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -59.2 -19.78 48.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.12 110.917 179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -89.64 9.58 26.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 63.12 110.831 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.91 -46.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.113 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.502 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 34.4 m -59.14 -33.83 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 54.15 111.119 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.28 -21.84 50.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 53.51 111.075 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -103.82 -25.48 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.3 110.844 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.96 71.76 0.15 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.741 -0.742 . . . . 72.4 112.472 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.502 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -70.78 82.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 74.32 111.123 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -116.62 -3.61 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.877 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.61 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -56.63 144.17 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.898 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.55 -19.84 3.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 61.03 112.459 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -108.31 -38.16 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 61.03 111.147 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.61 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -77.01 -24.7 52.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.33 111.135 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.458 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.8 t80 -80.62 -33.83 35.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 74.33 110.883 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.569 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -77.47 -22.44 51.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.35 111.104 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.97 -15.84 56.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 44.23 111.116 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.458 HD11 ' CD1' ' A' ' 34' ' ' PHE . 30.1 pt -104.77 -29.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 51.43 111.124 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.667 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -95.59 17.57 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.902 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.72 -12.05 17.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 54.54 112.459 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.571 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -78.25 -31.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 75.1 111.166 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.699 HG23 HD12 ' A' ' 42' ' ' LEU . 2.4 t -137.56 -41.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 54.34 111.141 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.699 HD12 HG23 ' A' ' 41' ' ' THR . 2.0 mp -75.13 160.46 80.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.716 . . . . 71.34 110.91 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.7 Cg_endo -69.84 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.642 2.228 . . . . 75.14 112.35 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.05 -30.47 10.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 62.3 111.089 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -67.58 -29.76 69.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 73.52 110.9 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.431 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.87 -29.8 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 72.1 111.149 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' A' ' 35' ' ' ALA . 27.4 mt -63.0 -35.58 80.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 34.2 110.926 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.59 -25.5 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 32.2 111.141 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.32 -29.39 61.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.106 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.97 35.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 71.24 111.077 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.96 -61.25 7.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 62.33 112.515 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.83 161.7 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 70.33 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp 59.48 49.16 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.35 110.924 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.91 168.31 32.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 71.01 112.512 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.739 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -55.65 125.96 23.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 70.32 111.133 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -115.58 -30.02 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 63.3 111.173 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.83 -5.55 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 42.32 111.13 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.739 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 55.25 111.098 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.352 . . . . 72.34 111.114 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -77.46 -3.88 42.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 72.11 110.94 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -107.65 -32.89 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 74.05 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.9 mt -73.78 -40.29 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 73.31 111.147 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.9 -22.06 46.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 55.13 111.143 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -86.97 -68.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.89 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.01 -63.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.925 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -80.13 -70.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 64.32 110.894 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.453 ' O ' HD23 ' A' ' 12' ' ' LEU . . . 90.55 -67.06 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 70.53 112.484 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm 59.9 61.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.871 0.367 . . . . 72.42 111.143 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 51.56 31.07 7.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.888 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -52.28 140.06 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.51 110.928 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . -81.8 79.52 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 42.2 111.053 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -94.77 25.35 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 70.42 111.134 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.94 -69.63 1.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 52.23 112.474 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.8 m -101.84 -33.41 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.754 0.311 . . . . 44.11 111.086 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -60.04 -20.43 57.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 43.21 111.091 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -56.31 -52.52 64.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.893 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.2 -26.52 60.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 33.34 110.867 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.768 HD13 HD13 ' A' ' 37' ' ' ILE . 38.8 mt -80.74 -44.52 18.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 72.52 110.891 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.443 ' HA ' HG22 ' A' ' 24' ' ' VAL . 23.7 mt -69.27 -12.13 61.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.939 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -98.19 3.53 48.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.849 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.04 -38.27 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.057 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 20' ' ' LEU . 35.8 m -64.59 -33.9 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 60.11 111.091 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.19 -22.69 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 55.13 111.093 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -76.94 -38.99 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.44 110.911 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 163.7 82.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 53.12 112.496 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 24' ' ' VAL . . . -125.84 103.86 8.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 60.13 111.078 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.5 t -81.12 -0.76 41.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 65.25 110.859 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -51.25 146.01 7.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 54.05 110.914 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.16 -34.9 0.53 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.781 -0.723 . . . . 72.53 112.466 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.62 -48.21 11.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 74.04 111.138 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.03 69.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.42 111.163 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.658 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.2 t80 -73.52 -29.17 62.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.866 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.518 ' HA ' HD21 ' A' ' 47' ' ' LEU . . . -79.65 -22.76 43.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 64.51 111.123 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.9 -12.2 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 51.15 111.042 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.768 HD13 HD13 ' A' ' 20' ' ' LEU . 26.0 pt -106.95 -29.06 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 62.53 111.126 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.665 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.6 mp -96.59 17.65 15.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 64.31 110.885 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.81 -11.42 19.05 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 55.43 112.436 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG13 HG22 ' A' ' 41' ' ' THR . 5.2 p -78.78 -31.94 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 71.01 111.141 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.668 HG23 HD12 ' A' ' 42' ' ' LEU . 2.2 t -137.79 -41.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 44.33 111.111 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.668 HD12 HG23 ' A' ' 41' ' ' THR . 2.0 mp -74.94 160.48 80.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 74.41 110.904 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 74.25 112.324 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.26 -28.78 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 60.3 111.081 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -68.39 -29.67 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.24 110.882 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.18 -29.28 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.12 111.06 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' ' 35' ' ' ALA . 28.3 mt -64.73 -45.8 84.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 65.4 110.919 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.96 -34.7 64.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.22 111.111 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.43 -25.33 67.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 53.2 111.088 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.92 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.01 111.089 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.51 21.46 2.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 71.4 112.452 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.09 -75.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 70.1 111.052 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 mp -78.38 -71.59 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 65.12 110.888 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.37 38.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 71.04 112.489 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -93.33 115.33 27.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 75.41 111.116 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.0 t -115.24 -31.17 6.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 63.12 111.141 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.39 -15.52 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.084 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.703 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 64.24 111.131 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.0 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.818 0.342 . . . . 60.21 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -78.09 -4.0 45.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -109.7 -32.38 7.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.899 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.725 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -75.82 -32.54 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 75.44 111.158 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.32 -16.95 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 43.45 111.091 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.45 -68.57 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 64.45 110.881 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -54.37 -62.44 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.904 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -78.54 -71.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 72.14 110.869 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.77 80.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 72.21 112.469 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.6 mt -96.63 108.68 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 73.55 111.112 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 52.96 34.13 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 62.01 110.879 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.5 tp -54.11 134.22 44.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.929 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.83 78.53 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 64.22 111.091 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 t -95.22 24.67 4.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 74.11 111.13 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.28 -49.99 2.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 72.12 112.481 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -130.48 -40.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 74.13 111.156 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.22 -22.55 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 63.3 111.126 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -62.7 -48.05 80.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.846 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -59.99 -25.39 65.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.878 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.531 ' O ' HG22 ' A' ' 24' ' ' VAL . 35.1 mt -77.23 -44.62 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 73.44 110.906 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.427 ' HA ' HG22 ' A' ' 24' ' ' VAL . 29.0 mt -66.42 -14.1 61.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.55 110.945 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -96.45 9.02 42.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.876 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.57 -40.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 71.1 111.071 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 20' ' ' LEU . 35.2 m -64.86 -34.35 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 51.31 111.149 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.76 -24.16 33.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 53.43 111.062 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -75.65 -34.96 60.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 73.35 110.881 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 158.06 84.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 72.42 112.458 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.23 -41.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 65.31 111.144 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t 51.42 30.62 6.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 44.42 110.83 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.631 HD12 ' H ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -51.57 138.92 21.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 75.35 110.899 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.22 6.72 3.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 65.52 112.41 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.07 -38.16 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 64.21 111.111 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.631 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -87.03 -21.5 26.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 63.42 111.078 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.651 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.5 t80 -79.09 -31.18 44.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 65.41 110.844 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.584 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -78.1 -23.04 48.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 55.35 111.064 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.43 -13.38 56.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 41.43 111.114 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.651 HD11 ' CD1' ' A' ' 34' ' ' PHE . 33.6 pt -105.23 -28.96 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.31 111.128 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.678 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.3 mp -94.96 15.9 17.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.1 110.872 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.97 -13.39 18.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 74.22 112.524 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.599 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -75.65 -31.88 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 70.21 111.123 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.652 HG23 HD12 ' A' ' 42' ' ' LEU . 2.1 t -137.91 -41.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.12 111.169 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.678 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.9 mp -74.3 160.36 81.59 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.612 0.72 . . . . 74.42 110.942 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -170.78 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.762 2.308 . . . . 45.25 112.332 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.98 -33.3 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.04 111.07 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -63.87 -32.59 74.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 73.23 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.53 -27.77 27.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.073 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.584 HD13 ' CB ' ' A' ' 35' ' ' ALA . 14.6 mt -71.55 -36.77 71.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 75.54 110.922 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.18 -25.53 51.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 51.44 111.082 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.87 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.33 111.129 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.16 -37.19 74.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 63.35 111.087 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.73 -30.66 9.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 63.04 112.519 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.44 177.43 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 70.23 111.125 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 53' ' ' LEU . 1.3 pt? -105.99 43.83 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 74.34 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.04 -47.61 0.94 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.777 -0.725 . . . . 40.24 112.453 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -151.27 111.29 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 74.45 111.112 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 t -115.41 -26.72 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 50.54 111.114 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.41 -4.73 7.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 73.31 111.082 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.725 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 42.32 111.1 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.4 mm . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.848 0.356 . . . . 75.43 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -80.97 -1.5 43.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 65.1 110.903 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -111.62 -38.17 4.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 75.24 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -65.8 -37.67 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 72.34 111.122 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.38 -17.03 58.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 73.33 111.088 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -86.71 -74.49 0.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 65.12 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -52.38 -63.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 72.01 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -77.98 -70.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 64.14 110.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.96 75.43 1.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 43.24 112.464 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mm -81.74 150.04 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 72.11 111.147 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -76.28 69.68 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 74.51 110.853 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 147.17 30.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 65.13 110.955 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.538 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . -83.79 88.37 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 63.21 111.101 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.3 t -95.06 25.62 4.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.55 111.101 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.09 -49.38 1.25 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 24.35 112.514 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 m -115.7 -23.77 8.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.743 0.306 . . . . 70.45 111.156 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -88.66 -18.68 27.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 71.24 111.054 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -54.6 -37.76 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 74.24 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -64.39 -39.73 94.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.921 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.1 mt -71.0 -47.89 56.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 53.21 110.923 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 21' ' ' LEU . 3.2 tm? -59.13 -24.67 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 53.22 110.909 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -82.31 1.87 34.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 55.21 110.844 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.52 -50.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 75.21 111.061 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.528 HG22 ' HA ' ' A' ' 21' ' ' LEU . 13.5 m -58.22 -28.08 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 74.15 111.084 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.28 -3.23 38.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.052 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -113.7 -20.43 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 53.13 110.839 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.83 -39.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 45.12 112.454 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . 57.39 58.61 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 72.41 111.094 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 p -98.92 -46.98 5.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.836 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.52 148.79 4.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 72.44 110.893 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.81 -35.49 0.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.68 -0.771 . . . . 43.24 112.427 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -85.12 -46.55 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 72.12 111.133 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.87 -34.43 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 53.32 111.136 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.628 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.7 t80 -76.64 -31.24 57.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 61.41 110.915 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.678 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -77.34 -24.43 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 41.3 111.084 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.9 -18.08 51.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 55.35 111.11 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.628 HD11 ' CD1' ' A' ' 34' ' ' PHE . 40.9 pt -100.2 -27.64 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 74.54 111.083 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.683 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.1 mp -92.97 14.43 17.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.915 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.33 -14.74 17.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 61.13 112.502 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG13 HG22 ' A' ' 41' ' ' THR . 4.9 p -73.08 -31.68 36.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.911 0.386 . . . . 73.43 111.101 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.639 HG23 HD12 ' A' ' 42' ' ' LEU . 2.4 t -138.64 -41.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.23 111.111 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.683 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.6 mp -73.67 160.52 81.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 73.33 110.917 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -170.51 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.634 2.223 . . . . 74.5 112.364 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.36 -28.21 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 71.33 111.127 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -67.76 -31.67 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.947 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.41 -24.45 44.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 54.12 111.111 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.678 HD13 ' CB ' ' A' ' 35' ' ' ALA . 11.6 mt -74.15 -36.71 64.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 62.33 110.946 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.18 -25.27 55.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 73.34 111.124 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.15 63.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 62.51 111.08 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.46 -30.8 67.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 62.22 111.084 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.82 -43.66 60.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 74.32 112.524 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.77 -48.83 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.868 0.365 . . . . 74.22 111.096 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -145.13 112.01 5.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 71.32 110.872 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.52 -178.13 4.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 71.33 112.49 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.09 102.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 52.12 111.157 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -76.95 62.1 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 55.23 111.166 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.33 25.0 13.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 72.32 111.128 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.723 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 44.24 111.117 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.481 HD11 HD21 ' A' ' 42' ' ' LEU . 41.3 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.879 0.371 . . . . 61.43 111.166 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.648 ' OH ' HD22 ' A' ' 21' ' ' LEU . 59.1 m-85 -78.89 -3.24 43.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.881 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -109.92 -34.44 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.704 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -72.32 -34.74 50.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 63.11 111.15 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.5 -18.53 65.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 74.2 111.09 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.55 -72.04 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.3 110.883 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -52.26 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.956 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -77.41 -66.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.912 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.52 67.47 2.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 73.41 112.495 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.611 HG22 ' H ' ' A' ' 12' ' ' LEU . 45.8 mm -51.7 136.62 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 72.12 111.131 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -51.83 -37.29 51.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.89 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.611 ' H ' HG22 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -52.39 -67.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 61.12 110.906 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.51 54.02 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 64.51 111.134 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -92.2 36.34 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 71.22 111.157 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.25 44.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 62.32 112.504 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 m -129.0 -55.78 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 53.11 111.179 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.62 -25.39 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 61.21 111.097 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -56.71 -51.29 69.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.873 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -56.56 -24.9 50.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.906 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.535 ' CD1' HD13 ' A' ' 37' ' ' ILE . 40.6 mt -84.67 -46.88 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 72.51 110.936 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.648 HD22 ' OH ' ' A' ' 2' ' ' TYR . 52.5 mt -67.75 -15.82 63.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 71.25 110.908 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -96.68 9.38 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.846 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.83 -39.91 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 73.23 111.105 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 20' ' ' LEU . 34.2 m -62.37 -34.24 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 73.43 111.121 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -23.59 50.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 55.12 111.157 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -123.12 23.01 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 55.15 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.99 63.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 51.25 112.449 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -70.37 82.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 54.12 111.101 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.7 m -92.74 -6.1 49.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.828 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.793 HD11 ' HB3' ' A' ' 33' ' ' ALA . 1.5 mm? -57.2 -179.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 61.5 110.901 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.37 -22.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 60.22 112.482 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.6 m -113.7 -32.95 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.787 0.327 . . . . 42.33 111.143 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.793 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -90.35 -25.48 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 53.52 111.09 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.9 t80 -63.95 -30.0 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.882 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.56 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -77.5 -24.11 50.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 52.33 111.143 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.56 -16.86 55.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 74.42 111.132 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.535 HD13 ' CD1' ' A' ' 20' ' ' LEU . 36.4 pt -102.36 -28.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.35 111.136 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.664 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -98.02 17.62 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 65.34 110.937 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.39 -12.53 19.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 71.14 112.521 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.599 HG13 HG22 ' A' ' 41' ' ' THR . 5.2 p -75.58 -31.61 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.403 . . . . 64.24 111.134 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 HD12 ' A' ' 42' ' ' LEU . 2.5 t -139.21 -41.39 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 64.13 111.136 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.679 HD12 HG23 ' A' ' 41' ' ' THR . 1.9 mp -73.89 160.4 81.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 73.4 110.891 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.74 -170.91 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.713 2.275 . . . . 72.13 112.356 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.54 -28.64 11.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 71.43 111.094 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.1 p-90 -69.3 -29.64 67.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 54.3 110.932 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.73 -29.86 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 71.31 111.084 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 35' ' ' ALA . 24.7 mt -61.65 -39.68 92.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 65.13 110.932 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.98 -28.71 70.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 45.22 111.101 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.85 -24.33 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 70.33 111.115 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.74 -30.23 21.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 63.41 111.096 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.84 24.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 63.31 112.479 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.8 -178.26 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 71.04 111.142 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -51.87 121.72 7.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 75.25 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.09 -73.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 73.02 112.493 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.57 101.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 63.51 111.101 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.02 62.34 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 64.41 111.125 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.27 26.89 13.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.43 111.114 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.704 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.53 111.064 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.796 0.331 . . . . 65.13 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -81.39 -1.48 45.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.02 110.93 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -111.43 -37.83 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 64.43 110.89 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.5 mp -64.49 -37.62 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 54.51 111.139 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.43 -18.86 53.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.22 111.117 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -85.46 -71.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.845 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -56.72 -63.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.91 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -75.56 -71.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.847 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.83 85.94 1.78 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 75.24 112.473 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.9 mt -95.66 147.27 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 74.45 111.17 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -98.39 40.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 63.42 110.848 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.728 HD11 HG21 ' A' ' 41' ' ' THR . 0.2 OUTLIER -66.74 -69.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.5 110.873 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.41 59.11 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 72.01 111.135 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.6 t -58.72 -18.23 29.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 71.33 111.157 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.99 -54.61 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 53.1 112.491 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.4 m -51.79 -70.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 52.11 111.153 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.57 -45.28 63.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 31.43 111.095 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -45.87 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.867 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -61.13 -24.28 66.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.905 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.589 HD13 HD13 ' A' ' 37' ' ' ILE . 19.2 mt -86.39 -49.75 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 61.43 110.929 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -20.29 56.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 62.52 110.871 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -99.69 -0.97 39.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 62.02 110.9 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.82 -16.25 9.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 75.43 111.102 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 20' ' ' LEU . 28.5 m -88.47 -31.35 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 65.22 111.101 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.69 -24.77 36.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.122 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -74.24 -25.93 59.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.874 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.59 83.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 51.21 112.496 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.98 114.98 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 73.03 111.069 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 m -112.95 27.78 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 41.23 110.855 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -51.71 144.4 11.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 51.42 110.92 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.43 -25.51 2.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.76 . . . . 52.22 112.467 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -96.69 -43.33 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 74.53 111.157 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.41 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -63.81 -35.18 79.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 44.34 111.158 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.676 ' CD1' HD11 ' A' ' 37' ' ' ILE . 5.3 t80 -66.37 -28.1 68.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 73.43 110.899 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.601 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -78.76 -21.35 48.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 60.44 111.144 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.45 -15.19 58.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 54.44 111.069 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.676 HD11 ' CD1' ' A' ' 34' ' ' PHE . 27.9 pt -105.36 -28.32 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 63.54 111.137 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.678 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.3 mp -98.12 13.89 29.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 71.02 110.897 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -106.9 -13.83 20.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 63.21 112.538 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.615 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -73.35 -30.19 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.363 . . . . 64.13 111.092 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.728 HG21 HD11 ' A' ' 12' ' ' LEU . 2.2 t -141.38 -41.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.32 111.154 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.678 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.7 mp -72.36 160.37 82.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 72.45 110.906 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -170.8 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 73.34 112.336 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.96 -27.39 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 71.12 111.12 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -68.49 -30.27 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 71.13 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.62 42.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.077 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 35' ' ' ALA . 12.6 mt -74.24 -39.2 63.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 55.22 110.877 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.28 -24.59 59.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.14 111.105 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.68 -23.99 61.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 70.34 111.111 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.93 -25.3 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 73.04 111.113 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.65 -20.77 18.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 65.51 112.479 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.8 -75.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 55.02 111.114 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.0 mt -132.3 77.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 64.3 110.916 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.63 177.28 7.9 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 65.52 112.533 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.52 102.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 71.41 111.113 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.0 62.14 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 74.34 111.159 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.21 25.02 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 65.2 111.126 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.709 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.01 111.117 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.833 0.349 . . . . 65.43 111.135 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -77.56 -4.3 45.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.903 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -108.51 -33.73 6.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.947 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -73.23 -39.76 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 73.02 111.132 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.777 ' HB1' HD22 ' A' ' 12' ' ' LEU . . . -60.08 -20.36 57.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 74.1 111.101 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -88.04 -70.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.897 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -52.34 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.893 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -80.17 -70.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 62.02 110.855 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.545 ' C ' HD12 ' A' ' 10' ' ' ILE . . . 90.0 -50.93 3.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 73.45 112.555 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.545 HD12 ' C ' ' A' ' 9' ' ' GLY . 3.2 mp 54.64 56.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 73.34 111.113 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.3 m80 51.64 35.01 13.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.876 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.777 HD22 ' HB1' ' A' ' 5' ' ' ALA . 20.7 tp -54.69 131.69 44.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.31 110.884 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.06 77.51 10.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 42.42 111.073 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -94.82 25.05 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 71.32 111.175 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.07 -35.02 25.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 75.21 112.437 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.6 m -116.6 -23.42 8.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 74.24 111.14 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.02 -22.54 50.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 63.51 111.097 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -53.96 -38.1 64.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.925 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -25.07 64.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 72.15 110.9 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.523 HD13 HD13 ' A' ' 37' ' ' ILE . 13.9 mt -85.37 -51.5 6.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 54.43 110.925 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.453 ' HA ' HG22 ' A' ' 24' ' ' VAL . 43.7 mt -59.47 -20.7 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 71.51 110.898 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -90.89 9.97 28.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 63.12 110.867 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.41 -40.31 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 73.01 111.105 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.66 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 22.1 m -60.37 -31.32 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 61.13 111.129 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.85 -23.72 66.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 65.24 111.151 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.4 t -101.2 -25.74 13.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 51.45 110.849 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.95 78.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.717 . . . . 61.25 112.53 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.66 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -70.79 82.46 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 63.03 111.082 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 m -92.02 -35.08 14.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.838 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -51.67 145.84 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 75.24 110.9 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.17 -33.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.76 . . . . 71.34 112.463 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -86.68 -49.58 7.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.748 0.309 . . . . 63.42 111.148 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.09 -39.04 65.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 72.13 111.07 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -69.63 -28.87 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.919 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.13 -21.04 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 44.43 111.069 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.04 -17.76 49.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 53.11 111.136 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.523 HD13 HD13 ' A' ' 20' ' ' LEU . 5.8 pt -103.36 -22.26 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.129 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.655 ' CD2' HD22 ' A' ' 42' ' ' LEU . 5.3 mp -105.41 -16.19 14.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 75.35 110.885 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.55 3.39 85.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 64.12 112.5 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -99.88 -36.29 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 75.22 111.158 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.586 HG23 HD12 ' A' ' 42' ' ' LEU . 4.5 t -129.06 -42.0 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 72.01 111.196 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.655 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.7 mp -72.88 163.41 68.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.633 0.73 . . . . 70.44 110.909 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.1 Cg_endo -69.81 -172.8 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 71.33 112.295 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.0 -38.02 9.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 71.04 111.095 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -59.66 -30.65 68.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.934 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.97 -42.44 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.094 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.3 mt -58.33 -31.7 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 55.31 110.917 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.51 -35.41 30.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 71.41 111.127 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.23 -26.28 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.2 111.098 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.39 -30.37 39.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 52.33 111.1 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.41 39.73 1.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 63.22 112.442 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.91 167.69 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 71.15 111.112 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.516 HD13 ' N ' ' A' ' 54' ' ' GLY . 0.3 OUTLIER -60.5 126.61 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.54 110.931 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.516 ' N ' HD13 ' A' ' 53' ' ' LEU . . . 158.74 -153.48 24.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 54.12 112.466 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.2 120.71 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 73.12 111.118 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 t -121.12 -36.24 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.52 111.131 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.44 -7.78 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 72.33 111.122 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 64.03 111.128 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.4 mm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.866 0.365 . . . . 75.23 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -77.87 -5.54 51.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 72.54 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -109.19 -32.69 7.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -75.82 -31.95 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 72.12 111.114 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.1 -17.49 64.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.34 111.115 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -92.68 -63.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.11 110.859 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -59.36 -63.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 65.04 110.897 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -77.81 -71.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 71.13 110.906 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.37 83.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 73.12 112.5 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mt -92.96 62.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 75.14 111.121 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 51.38 31.09 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 52.13 110.856 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -61.98 -17.78 58.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 72.42 110.927 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.6 57.93 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.126 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.736 HG23 ' H ' ' A' ' 16' ' ' THR . 7.1 t -63.91 -13.19 43.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 74.2 111.142 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.82 -13.87 66.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 73.41 112.498 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.736 ' H ' HG23 ' A' ' 14' ' ' THR . 87.4 m -99.03 -21.13 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 71.33 111.135 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.03 -22.03 23.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 61.22 111.123 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.83 -35.31 44.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.879 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -70.49 -39.79 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.917 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.95 -47.78 76.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 65.14 110.908 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' HA ' HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -58.43 -23.18 56.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 60.01 110.945 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -91.05 13.57 16.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 72.3 110.857 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.97 -40.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 50.42 111.106 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.613 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 22.4 m -64.7 -32.25 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 55.44 111.118 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -16.94 58.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 65.04 111.101 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -120.68 13.89 11.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 52.24 110.829 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.98 78.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 52.22 112.475 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.613 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -71.75 82.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 65.53 111.092 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.49 -39.08 12.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 74.34 110.87 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.59 144.44 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 44.21 110.936 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.7 -33.39 0.61 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 52.35 112.503 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.01 -48.47 9.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 75.41 111.143 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.9 85.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 60.0 111.102 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.9 t80 -66.57 -30.8 71.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.886 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.51 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -79.56 -22.89 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 71.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -17.14 51.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 65.15 111.114 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.477 HG13 HD12 ' A' ' 38' ' ' LEU . 27.3 pt -101.96 -25.64 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 63.41 111.111 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.671 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -96.72 15.95 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 73.03 110.903 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.78 -12.14 19.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 62.13 112.464 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.572 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -78.26 -32.07 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 74.3 111.109 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.667 HG23 HD12 ' A' ' 42' ' ' LEU . 2.4 t -137.18 -40.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 74.01 111.186 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.671 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.8 mp -75.01 160.54 80.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 74.33 110.907 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -170.87 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 73.31 112.307 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.22 -29.62 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 54.34 111.089 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -66.68 -31.39 72.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.903 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.11 -29.51 22.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 74.3 111.09 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.51 HD13 ' CB ' ' A' ' 35' ' ' ALA . 17.5 mt -67.96 -38.12 82.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.898 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.96 -26.34 66.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 64.33 111.098 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.19 -26.72 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.134 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.39 -25.8 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.18 19.63 48.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 71.45 112.487 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.94 -65.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 72.32 111.067 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.9 -70.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 63.03 110.927 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.43 143.21 4.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 53.44 112.493 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.86 101.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 70.34 111.084 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 t -77.01 62.49 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 70.22 111.114 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.09 27.17 14.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.14 111.094 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.729 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 54.14 111.094 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 38.2 mm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.779 0.323 . . . . 51.41 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -78.47 -3.66 44.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 71.2 110.911 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -108.39 -31.97 7.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 63.31 110.966 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.73 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -74.86 -32.78 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.12 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.83 -19.43 64.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 62.2 111.129 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -87.17 -65.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.874 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -59.06 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 72.55 110.916 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -75.83 -64.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 63.54 110.921 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.37 86.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 73.42 112.512 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.23 107.73 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 74.14 111.172 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.22 105.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 62.1 110.865 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.9 tp -140.08 -75.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 70.51 110.883 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 51.97 67.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 71.54 111.058 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 16' ' ' THR . 6.9 t -72.07 -9.39 58.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 71.13 111.131 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.23 -14.65 63.09 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.686 -0.768 . . . . 74.31 112.504 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.694 ' H ' HG23 ' A' ' 14' ' ' THR . 89.3 m -105.4 -21.13 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 63.23 111.105 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.61 -48.61 18.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.34 111.102 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -53.92 -27.42 30.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.922 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -68.01 -32.04 72.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.54 110.906 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.45 HD12 HD13 ' A' ' 37' ' ' ILE . 27.1 mt -70.41 -47.07 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 64.34 110.91 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.419 ' HA ' HG22 ' A' ' 24' ' ' VAL . 5.0 mt -59.6 -19.27 47.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 70.53 110.885 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -93.66 12.83 24.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.855 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.24 -41.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 74.31 111.137 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 28.4 m -63.02 -32.2 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.22 111.117 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.77 -15.83 59.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 71.41 111.114 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m -126.74 17.74 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.19 65.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 55.41 112.529 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.512 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -71.67 82.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 41.31 111.128 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 t -106.01 -35.3 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.847 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.17 143.13 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 63.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.79 -35.01 0.46 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 53.1 112.477 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -79.46 -52.61 7.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 74.21 111.093 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.01 -34.97 61.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 63.41 111.121 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.577 ' CD1' HD11 ' A' ' 37' ' ' ILE . 5.4 t80 -70.98 -28.35 64.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 54.32 110.884 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.797 ' HB1' HD13 ' A' ' 47' ' ' LEU . . . -79.24 -22.08 45.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 75.21 111.074 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.14 -16.74 52.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 53.14 111.092 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 34' ' ' PHE . 17.1 pt -100.61 -22.35 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 75.45 111.095 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.657 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.6 mp -97.55 14.37 26.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 72.55 110.904 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.54 -14.43 17.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 61.44 112.491 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.6 HG13 HG22 ' A' ' 41' ' ' THR . 4.8 p -74.13 -31.94 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.925 0.393 . . . . 71.52 111.133 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.666 HG23 HD12 ' A' ' 42' ' ' LEU . 2.2 t -137.36 -41.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.52 111.137 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.666 HD12 HG23 ' A' ' 41' ' ' THR . 2.0 mp -74.68 160.46 80.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 65.33 110.934 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -170.8 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 74.31 112.341 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.66 -30.63 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.106 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -65.26 -31.68 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.83 -26.65 58.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.35 111.1 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.797 HD13 ' HB1' ' A' ' 35' ' ' ALA . 11.2 mt -72.67 -34.82 67.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.936 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.81 -28.44 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.5 111.132 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.69 -25.33 59.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.33 111.082 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.6 -26.64 27.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 72.21 111.125 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.64 -58.65 11.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 71.35 112.491 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.83 -55.6 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 75.42 111.072 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.25 144.23 31.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 63.02 110.958 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.86 139.75 20.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.77 -0.729 . . . . 30.45 112.453 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.61 101.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 73.34 111.103 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.01 62.15 2.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 64.14 111.167 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.29 26.32 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 52.54 111.094 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.73 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 65.23 111.111 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.873 0.368 . . . . 71.24 111.119 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.3 -4.45 45.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.929 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -106.2 -31.99 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 62.24 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.9 mt -72.24 -39.43 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 72.43 111.092 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.15 -16.54 60.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 64.03 111.087 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -88.11 -61.61 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 65.54 110.886 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -67.25 -64.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -71.88 -61.68 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.835 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.28 73.35 0.51 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 54.23 112.504 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.1 mm -66.36 151.58 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 65.31 111.134 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -52.08 -28.8 18.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 71.24 110.836 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.2 -46.67 62.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 62.43 110.929 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.33 56.26 1.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 45.13 111.12 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.6 t -93.14 35.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 71.24 111.178 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.39 -45.16 1.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 71.5 112.485 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 m -54.08 -62.5 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 33.33 111.136 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -33.49 73.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 111.096 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -56.87 -51.6 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.85 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -62.88 -26.81 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.917 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.553 HD13 HD13 ' A' ' 37' ' ' ILE . 35.5 mt -75.29 -44.47 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.881 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HA ' HG22 ' A' ' 24' ' ' VAL . 34.5 mt -69.09 -13.62 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 75.45 110.889 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -97.63 8.2 45.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 71.11 110.852 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.09 -39.59 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 74.2 111.104 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 20' ' ' LEU . 35.5 m -64.18 -33.51 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 35.54 111.143 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -22.02 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 63.24 111.114 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -77.77 -39.27 44.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 70.41 110.87 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.12 82.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.474 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.444 ' HB2' ' HA ' ' A' ' 24' ' ' VAL . . . -127.92 105.17 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 63.1 111.073 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -86.09 4.37 38.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.861 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -51.52 143.75 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.948 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.55 -33.73 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 73.01 112.479 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -83.87 -49.6 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 73.13 111.121 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.42 -36.74 66.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 61.45 111.074 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.4 t80 -75.9 -29.79 58.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 72.41 110.863 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.594 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -78.75 -22.45 46.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 71.44 111.075 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.8 -16.15 56.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 54.33 111.116 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.56 HD11 ' CD1' ' A' ' 34' ' ' PHE . 33.4 pt -104.36 -29.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 75.15 111.167 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.637 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.8 mp -98.24 17.98 17.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.885 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.75 -10.17 23.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 63.43 112.462 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.595 HG13 HG22 ' A' ' 41' ' ' THR . 5.3 p -78.34 -31.21 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 63.32 111.153 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.653 HG23 HD12 ' A' ' 42' ' ' LEU . 2.5 t -139.91 -41.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 45.14 111.169 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.653 HD12 HG23 ' A' ' 41' ' ' THR . 1.9 mp -73.72 160.58 81.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.631 0.729 . . . . 73.32 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -170.8 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.653 2.235 . . . . 75.51 112.329 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.8 -29.79 10.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 52.24 111.135 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -67.76 -33.16 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.949 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.98 -25.18 42.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 65.5 111.098 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 35' ' ' ALA . 14.3 mt -71.41 -36.58 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 72.22 110.915 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.73 -25.35 41.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 30.42 111.091 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.88 -37.24 62.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 44.32 111.135 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.84 24.1 5.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 42.22 111.118 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.26 -39.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.65 -0.786 . . . . 64.45 112.449 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.18 -53.06 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 52.11 111.071 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.9 tp -169.69 135.34 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.96 -143.24 10.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 72.53 112.544 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -53.57 110.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 73.44 111.14 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 t -116.44 -25.0 7.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 72.55 111.178 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.09 -14.64 9.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 64.44 111.142 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.69 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 61.11 111.098 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.5 mm . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.87 0.367 . . . . 65.33 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -80.05 -2.2 43.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 72.14 110.942 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -111.04 -35.04 6.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 71.25 110.926 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -71.0 -37.99 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.22 111.147 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.97 -19.25 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 60.4 111.113 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -87.66 -69.06 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.834 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -56.62 -62.96 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 51.21 110.938 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.411 ' CD1' HG23 ' A' ' 4' ' ' ILE . 52.5 m-85 -77.13 -71.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.834 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.51 92.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 70.14 112.486 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.07 80.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 53.42 111.112 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.4 m170 58.93 25.5 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 75.14 110.827 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.504 HD22 ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -53.07 141.74 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.911 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.428 ' H ' HD13 ' A' ' 12' ' ' LEU . . . -85.35 76.42 10.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 74.31 111.069 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 t -94.91 31.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 72.22 111.112 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.21 -34.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 75.2 112.479 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -104.13 -66.95 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 74.41 111.15 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.92 -22.99 28.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 74.34 111.158 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.03 -35.25 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.864 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -33.64 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.918 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.699 HD13 HD13 ' A' ' 37' ' ' ILE . 26.5 mt -64.79 -43.37 93.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 74.03 110.893 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.35 -13.6 60.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.13 110.912 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -102.69 -2.27 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 54.42 110.819 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -118.61 -26.97 6.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.079 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 20' ' ' LEU . 29.3 m -77.17 -31.36 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 45.12 111.18 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.05 -22.88 42.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.34 111.051 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -74.92 -33.62 62.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 52.42 110.84 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.93 78.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 65.5 112.5 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.42 115.48 6.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 63.25 111.099 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.7 p -117.27 37.8 3.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 60.53 110.852 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.606 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -52.09 143.57 13.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 64.35 110.909 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.13 -18.74 4.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.781 -0.723 . . . . 41.44 112.493 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.5 m -107.85 -41.59 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 73.35 111.108 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.606 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -78.18 -29.39 48.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 51.5 111.112 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.706 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.1 t80 -72.3 -25.7 61.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.886 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.0 -20.35 45.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 72.4 111.141 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.48 -16.68 51.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 62.34 111.107 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.706 HD11 ' CD1' ' A' ' 34' ' ' PHE . 11.0 pt -105.28 -23.94 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 61.43 111.113 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.659 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.8 mp -102.27 -18.54 15.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 70.12 110.925 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.68 3.27 87.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.732 . . . . 61.1 112.485 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -98.59 -35.65 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.391 . . . . 64.22 111.112 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.612 HG23 HD12 ' A' ' 42' ' ' LEU . 4.9 t -131.39 -41.73 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 50.33 111.107 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.659 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.7 mp -72.25 163.41 67.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 73.13 110.898 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.577 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.9 Cg_endo -69.77 -173.15 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.622 2.215 . . . . 55.21 112.334 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.48 -47.7 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 75.12 111.105 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -53.59 -32.47 51.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 65.4 110.924 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.577 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -52.0 -40.37 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 70.11 111.041 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.1 mt -52.24 -42.31 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.26 -0.427 . . . . 75.51 110.918 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.32 -25.1 61.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 54.21 111.097 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.41 -24.43 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 54.24 111.121 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.69 -42.4 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.42 111.08 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.28 -79.13 0.46 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.742 . . . . 75.43 112.534 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.39 155.07 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 63.21 111.098 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.432 HD23 ' H ' ' A' ' 53' ' ' LEU . 1.7 pt? -51.92 143.07 14.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.902 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.81 -79.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 50.41 112.507 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.39 100.38 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 61.4 111.094 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -77.02 63.23 2.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.093 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.24 25.44 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 53.22 111.108 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 41.03 111.073 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 39.0 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.879 0.371 . . . . 61.43 111.15 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.448 ' CZ ' HD22 ' A' ' 21' ' ' LEU . 64.1 m-85 -80.89 -2.77 48.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.925 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -112.97 -40.71 3.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 52.21 110.909 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -65.88 -38.54 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 74.45 111.09 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.06 62.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.084 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -86.53 -73.56 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 75.44 110.867 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -51.5 -62.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.858 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -77.79 -63.12 1.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 72.31 110.863 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.3 74.32 0.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 74.4 112.531 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.2 mm -66.19 149.94 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 73.34 111.131 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -77.93 59.23 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.799 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 13' ' ' ALA . 20.9 tp -107.39 148.29 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 54.23 110.912 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.554 ' H ' HD12 ' A' ' 12' ' ' LEU . . . -76.67 64.18 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 71.14 111.115 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -93.66 20.18 7.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 61.41 111.144 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.56 -29.38 73.94 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 52.02 112.44 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.4 m -72.17 -45.38 60.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 73.31 111.141 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.63 -22.1 63.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 75.31 111.102 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -46.82 65.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.906 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -60.49 -26.0 66.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.919 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.803 HD13 HD13 ' A' ' 37' ' ' ILE . 40.4 mt -84.56 -44.9 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.893 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HA ' HG22 ' A' ' 24' ' ' VAL . 42.5 mt -59.47 -19.76 50.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 74.03 110.886 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -87.93 7.48 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.876 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.12 -47.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.31 111.097 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 21' ' ' LEU . 31.4 m -60.44 -32.79 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 73.45 111.127 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.25 -20.72 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.42 111.104 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -108.82 6.17 25.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 70.21 110.868 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.12 -73.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 42.15 112.465 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.24 63.58 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 53.21 111.086 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -110.35 -34.85 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 72.24 110.867 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.535 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -52.03 144.71 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 74.12 110.917 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.32 -22.84 3.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 42.2 112.476 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -102.11 -39.21 7.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.796 0.331 . . . . 63.41 111.168 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.535 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -72.14 -27.43 62.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 63.1 111.139 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.636 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.3 t80 -81.57 -30.37 33.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.889 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.573 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -78.79 -24.37 44.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 73.41 111.088 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.7 -15.83 55.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 60.42 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.803 HD13 HD13 ' A' ' 20' ' ' LEU . 35.8 pt -102.2 -26.3 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.082 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.682 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.3 mp -96.46 16.32 18.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 72.43 110.938 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.89 -13.51 17.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.782 -0.723 . . . . 63.14 112.517 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.582 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -75.21 -31.92 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 70.21 111.154 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.661 HG23 HD12 ' A' ' 42' ' ' LEU . 2.4 t -137.83 -41.01 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 74.24 111.131 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.682 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.9 mp -74.69 160.24 81.39 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.608 0.718 . . . . 74.5 110.844 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 54.2 Cg_endo -69.73 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 74.34 112.375 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.63 -28.53 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 75.35 111.132 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -69.86 -33.74 72.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.927 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.402 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.54 -30.18 19.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 63.23 111.113 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.573 HD13 ' CB ' ' A' ' 35' ' ' ALA . 20.5 mt -62.19 -39.77 93.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.931 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.87 -24.73 52.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 73.24 111.121 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.67 -22.6 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 72.25 111.066 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.17 -29.58 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 45.12 111.056 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.17 -24.89 42.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 75.41 112.478 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.74 -73.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 41.51 111.138 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.07 -41.76 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 71.14 110.913 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.96 -174.44 43.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 75.44 112.479 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -54.67 -30.95 56.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 63.13 111.078 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' ALA . 10.3 t 36.81 44.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.04 111.143 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.63 57.68 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 71.11 111.078 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.728 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 62.33 111.135 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.3 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.819 0.343 . . . . 64.31 111.127 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -78.64 -3.94 46.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -109.22 -33.94 6.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.502 . . . . 61.05 110.93 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.707 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -71.13 -39.28 73.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 62.4 111.102 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.61 -21.75 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 60.34 111.077 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.73 -71.02 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 64.22 110.844 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -53.77 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 72.54 110.922 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -79.32 -71.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 70.41 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.24 66.14 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 73.31 112.511 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -71.58 142.53 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 73.11 111.123 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -75.9 68.5 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 74.01 110.839 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.464 HD13 ' H ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -61.23 148.41 41.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 71.42 110.892 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.464 ' H ' HD13 ' A' ' 12' ' ' LEU . . . -75.65 79.92 2.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 71.12 111.048 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -67.4 -21.6 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 51.03 111.12 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.02 -33.01 36.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 72.34 112.513 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.6 m -118.21 -34.52 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 74.13 111.177 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.647 ' HA ' HD12 ' A' ' 20' ' ' LEU . . . -56.53 -24.39 46.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 62.3 111.139 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -52.12 -48.15 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.898 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -25.31 61.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 54.24 110.844 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.716 HD13 HD13 ' A' ' 37' ' ' ILE . 32.0 mt -72.68 -45.45 58.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 75.1 110.909 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.423 ' HA ' HG22 ' A' ' 24' ' ' VAL . 6.6 mt -59.21 -19.65 47.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.912 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.45 13.23 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.01 110.858 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.7 -41.16 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 42.22 111.115 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.638 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 33.7 m -64.25 -33.38 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 65.23 111.106 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.82 -22.27 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.31 111.133 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -99.82 -28.58 13.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.882 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.23 78.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 43.2 112.494 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.638 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -72.03 83.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 72.24 111.137 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 p -128.34 12.02 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.891 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.585 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -61.2 144.04 54.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 54.45 110.924 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.42 -21.2 3.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 52.14 112.459 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -107.08 -41.72 5.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 64.1 111.164 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.585 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -74.55 -24.58 58.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.4 111.088 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -84.46 -26.45 28.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.21 110.879 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.3 -21.25 33.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 73.22 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.87 -5.73 58.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 55.54 111.09 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.716 HD13 HD13 ' A' ' 20' ' ' LEU . 13.4 pt -115.94 -26.25 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 70.14 111.12 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.632 ' HG ' HD22 ' A' ' 42' ' ' LEU . 8.5 mp -107.91 -12.75 15.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 71.14 110.896 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.49 6.09 80.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 54.45 112.44 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.3 -37.98 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 75.31 111.152 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.628 HG23 HD12 ' A' ' 42' ' ' LEU . 8.9 t -124.48 -36.76 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.5 111.175 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.632 HD22 ' HG ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -81.07 163.81 53.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 72.24 110.898 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.534 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.77 -179.52 2.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.626 2.217 . . . . 74.43 112.365 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.02 -43.46 11.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 73.13 111.077 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.0 p-90 -55.9 -31.49 62.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.945 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -52.37 -39.19 60.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 64.52 111.125 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.3 mt -69.04 -31.26 69.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 73.3 110.883 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.3 -26.07 51.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 63.14 111.133 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.61 -25.16 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 41.42 111.08 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.94 -25.28 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 72.55 111.075 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -78.28 -19.68 73.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 70.23 112.46 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.57 -65.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 73.22 111.12 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.3 mt -75.21 -41.88 56.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 45.12 110.964 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.99 174.96 20.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.74 . . . . 73.34 112.483 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.04 -25.61 61.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 65.15 111.075 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 6.1 p 51.55 29.08 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 73.12 111.135 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 56' ' ' THR . . . 66.67 35.97 4.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 64.3 111.09 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.707 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.01 111.081 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.7 mm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.817 0.341 . . . . 74.14 111.107 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.481 ' OH ' HD13 ' A' ' 21' ' ' LEU . 47.6 m-85 -78.74 -3.05 42.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 65.04 110.921 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -109.44 -33.16 6.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 75.43 110.959 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.8 mp -74.01 -37.63 47.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 73.3 111.193 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.66 -18.24 61.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 64.12 111.141 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -91.05 -60.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 71.33 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -62.97 -64.14 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 72.1 110.943 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.405 ' CD1' HG23 ' A' ' 4' ' ' ILE . 53.1 m-85 -77.09 -66.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 71.22 110.883 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.56 69.06 1.37 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 73.21 112.449 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -51.4 127.7 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 62.23 111.132 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -55.3 -43.8 75.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.816 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.504 HD12 ' H ' ' A' ' 13' ' ' ALA . 26.2 tp -51.83 149.63 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 73.03 110.959 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.504 ' H ' HD12 ' A' ' 12' ' ' LEU . . . -77.32 60.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.43 111.112 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -94.96 35.07 1.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 71.4 111.125 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.13 64.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 72.25 112.473 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.7 m -63.13 -20.61 65.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 62.42 111.121 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 37' ' ' ILE . . . -65.19 -24.13 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 71.44 111.102 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -52.24 -45.0 65.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 75.44 110.927 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -69.44 -23.57 63.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.32 110.876 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.6 ' O ' HG22 ' A' ' 24' ' ' VAL . 26.6 mt -80.12 -45.42 18.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.916 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD13 ' OH ' ' A' ' 2' ' ' TYR . 36.0 mt -65.95 -14.0 60.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 74.15 110.916 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -102.51 -3.05 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 62.02 110.877 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.66 -25.4 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.03 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 20' ' ' LEU . 28.5 m -77.47 -31.17 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 73.4 111.134 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.41 -23.47 38.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 44.22 111.146 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -73.41 -35.35 65.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 71.13 110.86 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 165.35 75.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.757 . . . . 73.13 112.483 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB3' ' CB ' ' A' ' 24' ' ' VAL . . . -151.52 118.75 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 52.14 111.081 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.9 m -89.09 49.32 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 53.35 110.848 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.745 HD11 ' HB3' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -53.73 145.11 16.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 71.24 110.889 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.21 -34.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 75.03 112.527 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -94.84 -23.61 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 63.42 111.144 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.745 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -92.39 -27.31 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 70.15 111.1 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -57.22 -25.69 59.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.881 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.75 -19.05 38.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.2 111.097 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.05 -9.51 59.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.065 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 17' ' ' ALA . 13.9 pt -109.55 -26.71 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 44.04 111.139 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.646 ' HG ' HD22 ' A' ' 42' ' ' LEU . 8.7 mp -107.81 -12.81 15.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 70.52 110.946 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.45 5.95 80.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 70.45 112.521 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.21 -37.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 61.02 111.103 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.626 HG23 HD12 ' A' ' 42' ' ' LEU . 8.5 t -124.42 -36.81 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.33 111.13 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.646 HD22 ' HG ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -81.05 163.77 53.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 74.32 110.895 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.76 -170.57 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.263 . . . . 71.14 112.326 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.01 -32.98 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 55.51 111.05 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -66.91 -28.59 68.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 71.21 110.94 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.6 -41.98 61.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 63.22 111.127 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.8 mt -52.33 -40.54 62.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.84 -24.5 38.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 54.24 111.154 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HA ' HD23 ' A' ' 53' ' ' LEU . . . -72.86 -21.63 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 72.54 111.11 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.53 -30.1 19.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 63.1 111.116 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.03 -78.24 0.15 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 22.1 112.484 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.688 ' O ' HD22 ' A' ' 53' ' ' LEU . . . -170.83 108.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 33.55 111.055 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.688 HD22 ' O ' ' A' ' 52' ' ' ALA . 4.1 mm? -133.38 -74.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 64.52 110.902 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -130.81 -98.13 0.78 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 65.13 112.51 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.6 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -72.89 77.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 40.32 111.097 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.2 t -93.0 -24.58 18.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.143 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.51 -8.87 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 71.12 111.098 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.696 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 51.3 111.06 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 43.9 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.854 0.359 . . . . 74.04 111.124 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -75.8 -7.14 53.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 73.03 110.92 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -109.22 -33.41 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 75.34 110.947 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.739 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -75.5 -34.22 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 62.25 111.146 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 13' ' ' ALA . . . -66.54 -18.25 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 41.24 111.086 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -91.98 -62.24 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 70.1 110.868 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.41 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 53.3 110.866 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -78.13 -70.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.91 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.19 81.92 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.76 -0.733 . . . . 43.42 112.454 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.421 HG22 ' ND1' ' A' ' 11' ' ' HIS . 5.4 mp -97.0 -72.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 62.33 111.144 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.421 ' ND1' HG22 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -116.36 -27.23 6.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.02 110.859 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -68.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 70.21 110.934 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB2' ' HB1' ' A' ' 5' ' ' ALA . . . -83.88 56.67 3.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 71.24 111.093 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.8 t -93.43 35.94 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 54.32 111.133 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.48 -42.47 2.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 64.21 112.498 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -68.13 -66.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 62.24 111.099 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.61 20.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 74.43 111.124 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -55.13 -42.7 73.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -75.05 -24.58 58.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.891 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.82 HD13 HD13 ' A' ' 37' ' ' ILE . 37.4 mt -75.9 -45.39 35.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 71.02 110.937 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.481 ' HA ' HG22 ' A' ' 24' ' ' VAL . 51.6 mt -59.16 -19.48 45.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 63.33 110.971 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -89.14 8.79 28.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 74.34 110.824 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.61 -46.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.24 111.101 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 21' ' ' LEU . 33.4 m -59.92 -33.79 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 63.21 111.158 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.0 -21.7 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.54 111.125 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 m -97.65 -20.65 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 70.15 110.883 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.75 -68.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 64.4 112.5 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . 57.66 66.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 72.2 111.086 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.0 t -155.0 24.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.864 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.68 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 54.42 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.27 -6.57 59.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 61.31 112.485 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.9 m -128.99 -42.06 1.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 53.24 111.154 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.9 -25.02 20.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.111 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -71.73 -39.96 69.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.926 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.54 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -73.37 -20.91 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.32 111.09 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.48 -19.76 41.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 54.44 111.103 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.82 HD13 HD13 ' A' ' 20' ' ' LEU . 15.2 pt -101.56 -21.4 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 70.13 111.096 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.682 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.0 mp -101.84 13.95 33.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.932 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.37 -14.06 19.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 72.31 112.535 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG13 HG22 ' A' ' 41' ' ' THR . 5.2 p -73.59 -30.82 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 72.24 111.122 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.646 HG23 HD12 ' A' ' 42' ' ' LEU . 2.7 t -140.59 -41.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 64.42 111.132 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.682 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.6 mp -72.31 160.36 82.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 73.24 110.879 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.62 2.213 . . . . 72.43 112.328 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.54 -26.2 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 60.13 111.092 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -71.27 -30.99 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.945 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.62 -28.51 21.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 70.23 111.146 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 35' ' ' ALA . 22.3 mt -64.24 -33.41 75.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 61.43 110.902 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.72 -25.98 34.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.078 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.17 -34.85 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 62.32 111.1 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.12 -29.46 21.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.01 111.151 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.37 -41.88 99.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 52.14 112.444 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.59 -69.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 63.21 111.104 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.6 tp -159.85 142.92 13.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 63.44 110.904 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.11 -115.72 0.38 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.815 -0.707 . . . . 61.45 112.522 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.32 110.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 74.22 111.1 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.3 p -80.48 57.02 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 52.11 111.122 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 66.88 23.2 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 42.02 111.092 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.739 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 63.44 111.075 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 45.3 mm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.87 0.367 . . . . 75.21 111.129 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -78.8 -5.62 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 72.44 110.926 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -107.17 -30.56 8.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 74.32 110.89 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -74.83 -34.04 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 60.21 111.086 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.76 -15.55 61.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 71.11 111.111 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -90.57 -73.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -51.74 -63.18 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.904 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -78.89 -70.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.915 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.57 85.11 0.95 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 73.42 112.518 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.32 63.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 74.03 111.122 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -150.72 105.25 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 62.41 110.88 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.76 18.98 20.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.904 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.691 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . -93.18 59.7 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 62.43 111.072 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -94.4 36.0 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 74.04 111.157 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -124.55 -45.46 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 54.31 112.491 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.1 m -117.7 -27.34 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 65.12 111.185 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -72.51 -25.2 61.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 63.24 111.116 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -55.88 -44.71 78.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 71.52 110.873 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -17.44 62.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 71.32 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 24' ' ' VAL . 25.7 mt -93.35 -47.93 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 73.25 110.904 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' HA ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -58.54 -28.85 65.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.935 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -87.5 7.11 30.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.858 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.47 -34.08 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 61.32 111.106 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 20' ' ' LEU . 21.8 m -72.77 -26.89 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 61.22 111.167 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.4 -9.7 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.092 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.3 t -114.85 -1.14 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 61.41 110.846 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.35 -59.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 75.5 112.481 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.62 55.25 4.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 75.3 111.08 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t -119.52 -30.99 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 75.51 110.89 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.47 146.91 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 61.21 110.891 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.8 -34.76 0.47 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 64.41 112.508 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -83.42 -50.21 8.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 74.25 111.111 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.32 61.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 65.2 111.073 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CD1' HD11 ' A' ' 37' ' ' ILE . 4.8 t80 -71.95 -29.85 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.03 110.866 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.437 ' HA ' HD21 ' A' ' 47' ' ' LEU . . . -80.37 -22.82 40.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 64.22 111.112 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.89 -13.77 59.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 62.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 34' ' ' PHE . 25.1 pt -106.59 -29.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 71.3 111.128 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.668 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -91.3 12.81 19.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 75.33 110.918 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.24 -14.37 18.66 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 63.24 112.487 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -74.48 -32.05 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.961 0.41 . . . . 74.13 111.138 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.639 HG23 HD12 ' A' ' 42' ' ' LEU . 2.9 t -137.67 -41.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 73.32 111.128 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.668 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.8 mp -73.69 160.47 82.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 65.41 110.907 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 71.41 112.382 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.34 -25.1 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.41 111.093 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -72.51 -29.06 63.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.92 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.73 -29.87 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 74.13 111.102 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 35' ' ' ALA . 9.9 mt -68.55 -42.95 77.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.12 110.898 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.91 -25.71 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.3 111.135 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.47 63.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 50.22 111.085 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.91 -27.13 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 60.11 111.076 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.32 -51.97 2.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 64.22 112.469 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.54 -55.57 33.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 61.44 111.112 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.3 tp -79.21 -54.83 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 65.23 110.933 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.15 -35.09 3.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.7 -0.762 . . . . 75.31 112.478 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 55.93 85.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 73.41 111.099 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 t -74.99 71.16 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 64.11 111.168 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.08 19.93 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.109 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.727 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.107 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.589 HG13 HD21 ' A' ' 42' ' ' LEU . 49.5 mm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.863 0.363 . . . . 73.41 111.144 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -66.61 -13.94 61.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 72.2 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -108.59 -35.1 6.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 70.04 110.88 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -73.73 -33.69 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 72.31 111.146 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.02 -19.09 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 63.4 111.11 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -90.38 -66.27 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 63.52 110.886 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -56.91 -62.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 54.53 110.939 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.429 ' HB3' HD11 ' A' ' 10' ' ' ILE . 53.3 m-85 -77.52 -70.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 64.42 110.894 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.35 86.03 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 52.04 112.453 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' A' ' 8' ' ' PHE . 4.0 mp -114.16 127.02 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.89 0.376 . . . . 73.31 111.121 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.7 m80 52.44 37.64 23.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 73.15 110.869 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.598 HD21 ' NH2' ' A' ' 18' ' ' ARG . 11.3 tp -53.55 129.4 32.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.937 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.54 ' N ' HD12 ' A' ' 12' ' ' LEU . . . -101.91 79.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 64.31 111.051 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 t -64.62 -15.33 61.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 63.11 111.186 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.02 -13.8 32.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 72.23 112.48 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 m -118.55 -68.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 73.43 111.124 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.37 -49.2 61.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 71.34 111.085 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.598 ' NH2' HD21 ' A' ' 12' ' ' LEU . 7.2 tpp85 -53.24 -48.52 68.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 64.24 110.859 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -70.2 -24.08 63.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 53.1 110.919 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.717 HD13 HD13 ' A' ' 37' ' ' ILE . 29.4 mt -76.18 -44.01 39.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.933 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.508 ' HA ' HG22 ' A' ' 24' ' ' VAL . 21.0 mt -59.59 -19.05 46.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 62.41 110.946 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -86.5 5.87 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 62.05 110.883 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.97 -48.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.42 111.088 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.676 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 22.5 m -59.02 -31.72 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 73.14 111.148 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.72 -17.68 56.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 70.11 111.054 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 p -97.77 -20.93 17.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 71.24 110.882 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.74 80.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 65.52 112.509 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.676 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -67.27 -78.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 71.01 111.117 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p 57.64 20.91 6.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.873 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.609 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -78.65 145.83 34.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.963 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.49 -18.82 3.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 54.34 112.501 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.8 m -112.68 -41.43 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.52 111.133 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.609 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -77.0 -24.46 52.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 15.01 111.102 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.626 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.5 t80 -80.26 -31.43 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.42 110.873 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -77.52 -25.06 49.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 62.24 111.121 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.62 -16.98 56.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 64.31 111.13 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.717 HD13 HD13 ' A' ' 20' ' ' LEU . 31.6 pt -102.44 -25.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 70.53 111.097 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.652 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.8 mp -98.26 16.5 21.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 70.15 110.936 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.77 -13.43 18.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 74.43 112.469 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.592 HG13 HG22 ' A' ' 41' ' ' THR . 5.1 p -74.68 -31.77 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 74.14 111.134 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.622 HG23 HD12 ' A' ' 42' ' ' LEU . 2.3 t -138.59 -41.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 63.11 111.155 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.652 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.9 mp -73.66 160.1 82.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.574 0.702 . . . . 63.12 110.959 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -170.63 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.265 . . . . 75.12 112.331 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.42 -27.14 11.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.08 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -70.99 -30.2 66.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.31 -26.8 31.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 51.33 111.106 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 35' ' ' ALA . 19.5 mt -66.69 -40.06 88.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 70.24 110.867 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.49 -25.83 41.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.145 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -25.44 62.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 54.44 111.066 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.88 -27.58 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 74.12 111.118 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.32 -31.12 34.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 54.42 112.525 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.14 -73.55 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 71.33 111.06 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.54 -68.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.938 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.95 -124.55 6.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 75.13 112.5 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -71.79 -33.62 68.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.857 0.361 . . . . 74.43 111.106 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' ALA . 10.1 t 36.68 44.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.41 111.163 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.44 58.11 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.2 111.132 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.759 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 55.24 111.078 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.498 ' CD1' HD11 ' A' ' 42' ' ' LEU . 41.7 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.823 0.344 . . . . 73.12 111.122 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -79.7 -2.49 43.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.95 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -110.82 -35.19 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 74.33 110.915 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -70.99 -40.19 75.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 71.51 111.106 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.13 -19.85 55.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.15 111.092 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -87.02 -72.32 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.15 110.913 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -52.37 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 63.03 110.91 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -78.83 -70.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.859 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.11 83.08 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 61.44 112.453 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -83.54 139.7 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 62.13 111.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -75.83 70.93 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 54.2 110.857 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -113.75 21.18 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 63.31 110.909 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.83 71.13 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.01 111.084 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.603 HG23 ' H ' ' A' ' 16' ' ' THR . 10.0 t -52.13 -29.45 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 63.32 111.124 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 128.82 -19.92 5.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 74.54 112.492 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.603 ' H ' HG23 ' A' ' 14' ' ' THR . 91.7 m -109.87 -25.75 10.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.757 0.313 . . . . 54.31 111.114 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.6 77.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 34.03 111.086 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -58.17 -23.55 55.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.849 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -32.52 39.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.865 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.635 ' O ' HG22 ' A' ' 24' ' ' VAL . 24.9 mt -74.67 -37.66 62.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.914 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.79 -16.92 53.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.94 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -101.93 -1.89 30.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 75.01 110.895 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.66 -21.63 8.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.22 111.109 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 20' ' ' LEU . 18.6 m -83.46 -29.16 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.45 111.151 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.79 -23.38 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.33 111.134 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -87.73 -25.42 23.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.916 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.11 77.91 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 33.32 112.501 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.608 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -72.69 84.04 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 65.12 111.122 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -130.15 30.87 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.903 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.565 HD23 ' H ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -96.84 177.34 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.901 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.565 ' H ' HD23 ' A' ' 30' ' ' LEU . . . -137.84 -35.63 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 41.44 112.501 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.3 m -82.71 -66.76 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.762 0.315 . . . . 71.02 111.142 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.49 ' HB1' HD11 ' A' ' 20' ' ' LEU . . . -50.6 -35.81 31.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 74.43 111.104 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -73.57 -38.87 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.14 110.841 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.632 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -72.59 -21.28 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.135 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.89 -18.32 54.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 63.14 111.106 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.429 HG21 HD12 ' A' ' 20' ' ' LEU . 27.8 pt -106.14 -26.2 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 61.53 111.115 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.689 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.0 mp -97.79 15.92 22.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.917 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.24 -13.13 18.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 32.32 112.47 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.581 HG13 HG22 ' A' ' 41' ' ' THR . 5.1 p -76.3 -31.83 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 64.24 111.177 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.658 HG23 HD12 ' A' ' 42' ' ' LEU . 2.5 t -138.04 -41.18 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 61.12 111.128 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.689 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.5 mp -74.11 160.23 82.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.704 . . . . 53.21 110.91 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -171.02 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.277 . . . . 74.32 112.38 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.12 -29.67 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 45.23 111.079 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -67.82 -33.88 75.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 71.52 110.889 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.04 -25.97 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 70.22 111.09 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 35' ' ' ALA . 18.3 mt -68.13 -35.37 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 72.52 110.898 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.77 -26.23 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 53.12 111.133 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.41 -24.94 34.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 72.14 111.147 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.51 -25.26 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 52.44 111.104 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.42 -55.86 20.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 52.22 112.475 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.66 -57.66 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 70.35 111.084 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.8 mt -150.91 120.33 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.34 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.59 -111.8 1.76 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 61.23 112.513 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 102.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 64.23 111.104 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.07 62.2 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 72.52 111.117 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.3 23.47 13.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 41.02 111.104 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.716 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.125 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.6 mm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.89 0.376 . . . . 63.11 111.149 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -78.77 -3.46 44.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.935 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -111.17 -37.75 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 62.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.725 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.8 mp -69.5 -32.78 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 63.03 111.124 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.65 -17.76 65.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.12 111.116 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.98 -71.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.855 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -53.09 -62.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.893 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.58 -70.75 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 65.2 110.919 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.7 47.66 7.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 31.5 112.47 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.12 -73.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 71.24 111.161 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.13 63.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 44.22 110.833 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -66.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 65.2 110.91 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.68 72.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 72.35 111.085 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 t -102.41 31.07 4.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 71.22 111.182 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.24 -45.46 1.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 60.05 112.518 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -124.38 -44.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 71.4 111.106 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.44 -28.79 56.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 64.44 111.153 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -53.09 61.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 72.1 110.865 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -56.75 -31.99 65.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.832 HD13 HD13 ' A' ' 37' ' ' ILE . 25.7 mt -73.42 -50.17 23.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.95 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.414 ' HA ' HG22 ' A' ' 24' ' ' VAL . 49.6 mt -59.28 -21.38 59.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 52.12 110.9 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -90.96 10.83 24.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.839 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.62 -40.3 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 43.44 111.074 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.682 HG12 HD23 ' A' ' 30' ' ' LEU . 16.4 m -64.56 -26.9 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 44.33 111.129 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.39 -7.19 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 35.15 111.11 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -111.77 -22.59 11.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 54.33 110.896 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.18 -51.14 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.674 -0.774 . . . . 55.13 112.443 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.98 45.8 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 62.34 111.07 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -113.75 24.3 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 55.31 110.911 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' A' ' 33' ' ' ALA . 1.4 mm? -63.62 -179.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 51.13 110.898 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 157.96 -22.16 0.38 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.705 -0.76 . . . . 71.35 112.423 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.1 m -115.78 -29.84 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 74.41 111.186 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.805 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -94.09 -24.53 17.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 53.24 111.093 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.495 ' CD1' HD11 ' A' ' 37' ' ' ILE . 4.8 t80 -70.42 -30.78 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.855 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.645 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -78.05 -24.18 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 62.21 111.074 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.93 -15.81 56.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 63.02 111.107 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.832 HD13 HD13 ' A' ' 20' ' ' LEU . 32.4 pt -103.28 -28.16 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.43 111.077 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.665 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -93.79 14.79 18.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 52.02 110.898 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.21 -13.74 18.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 40.53 112.499 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.599 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -74.85 -31.86 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 62.21 111.121 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.65 HG23 HD12 ' A' ' 42' ' ' LEU . 2.2 t -138.17 -41.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.148 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.665 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.9 mp -73.94 160.35 82.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.622 0.725 . . . . 74.22 110.902 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 71.04 112.346 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.62 -28.95 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 71.05 111.077 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 56.4 p-90 -68.47 -32.35 72.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 73.22 110.896 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.52 -26.76 33.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 61.4 111.117 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.645 HD13 ' CB ' ' A' ' 35' ' ' ALA . 13.8 mt -69.35 -35.13 75.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.911 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.95 -26.36 60.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 74.25 111.1 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.85 -27.22 22.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 72.13 111.126 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.71 -28.51 56.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 31.23 111.088 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.07 -46.55 91.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 74.3 112.525 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.86 87.99 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 72.14 111.104 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 53' ' ' LEU . 2.1 pt? -127.61 152.49 47.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.902 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -110.7 58.17 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 50.33 112.513 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -60.11 -33.72 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 51.15 111.046 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ALA . 9.4 t 36.85 44.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 65.52 111.124 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.62 57.86 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 53.32 111.093 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.725 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 74.44 111.084 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 39.8 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.875 0.369 . . . . 74.44 111.136 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -78.25 -3.42 42.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.911 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -107.72 -33.2 7.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 75.44 110.925 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.9 mp -73.4 -38.18 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 74.25 111.151 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HB1' HD13 ' A' ' 12' ' ' LEU . . . -60.08 -19.77 54.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 62.12 111.125 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.56 -70.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 52.34 110.872 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -53.85 -63.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 62.45 110.891 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -78.88 -71.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 73.41 110.868 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.44 27.83 60.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 60.12 112.488 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.89 126.47 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 61.03 111.12 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.1 m170 53.25 47.23 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.873 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.444 HD13 ' HB1' ' A' ' 5' ' ' ALA . 33.1 tp -81.56 -74.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.901 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.07 66.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.109 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 t -76.84 -4.53 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 60.2 111.17 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.92 -27.98 60.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 75.43 112.467 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -117.27 -20.51 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 72.04 111.129 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.59 -16.26 37.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 72.04 111.092 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -54.77 -31.63 59.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 62.34 110.864 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -39.16 33.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 63.04 110.902 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.835 HD13 HD13 ' A' ' 37' ' ' ILE . 29.5 mt -68.13 -42.07 80.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 73.14 110.921 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.474 ' HA ' HG22 ' A' ' 24' ' ' VAL . 42.1 mt -59.21 -19.43 45.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 44.35 110.956 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -89.06 9.17 26.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.88 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.4 -46.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 61.24 111.102 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 33.3 m -60.06 -33.13 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 53.21 111.162 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -22.0 49.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 65.3 111.06 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 m -108.68 8.62 27.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 71.4 110.871 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.84 88.58 0.48 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 74.22 112.504 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.512 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -63.69 -78.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 73.25 111.103 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p 56.93 22.2 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 53.22 110.866 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -73.47 -174.33 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.907 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.62 -33.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 71.05 112.487 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.2 m -106.69 -27.61 10.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 42.44 111.146 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.91 -34.86 19.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 55.21 111.136 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -65.29 -37.56 87.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 65.32 110.874 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.548 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -75.95 -24.75 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.52 111.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.71 -17.01 58.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 72.43 111.083 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.835 HD13 HD13 ' A' ' 20' ' ' LEU . 17.8 pt -104.44 -21.78 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 74.45 111.132 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.633 ' HG ' HD22 ' A' ' 42' ' ' LEU . 5.2 mp -107.01 16.99 23.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 62.54 110.957 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.55 -13.82 17.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 75.34 112.519 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.596 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -73.33 -31.16 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 74.43 111.154 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.68 HG23 HD12 ' A' ' 42' ' ' LEU . 2.5 t -139.54 -41.2 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 74.31 111.195 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.68 HD12 HG23 ' A' ' 41' ' ' THR . 2.1 mp -74.34 160.18 81.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 70.25 110.934 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.7 Cg_endo -69.76 -170.58 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 71.14 112.332 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.26 -28.26 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 63.32 111.115 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.9 p-90 -69.91 -27.84 65.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 75.55 110.87 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.424 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.77 -29.53 19.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 72.0 111.128 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 35' ' ' ALA . 23.8 mt -62.36 -39.18 92.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 54.1 110.925 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.92 -25.14 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 71.32 111.099 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.47 -22.72 35.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 65.41 111.106 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.36 -23.33 43.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 51.11 111.081 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.12 -33.58 37.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 71.25 112.507 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.43 126.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 75.43 111.067 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 mt -157.56 178.07 10.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 64.4 110.925 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.54 22.91 25.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 75.3 112.519 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.802 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -118.81 96.85 5.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 41.13 111.095 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.8 p -98.45 -28.55 13.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 65.44 111.187 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -118.21 -16.24 9.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.087 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.802 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 75.12 111.095 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.8 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.835 0.35 . . . . 70.12 111.139 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -77.65 -3.95 43.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 62.42 110.905 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -108.95 -32.84 7.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.135 -0.484 . . . . 70.3 110.931 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.8 mp -75.09 -30.98 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 75.4 111.118 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -19.5 63.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 75.31 111.084 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -89.24 -66.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 61.24 110.842 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -56.75 -63.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 45.25 110.873 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -76.93 -71.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.898 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.49 39.27 94.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 61.25 112.468 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.3 mt -75.28 -23.91 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.824 0.345 . . . . 61.41 111.09 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -111.2 70.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.853 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.1 tp -79.18 112.74 16.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 62.13 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.11 78.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.25 111.094 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.8 t -95.89 26.61 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 64.44 111.156 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.54 -84.11 1.76 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.691 -0.766 . . . . 60.02 112.483 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -106.36 -30.22 9.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 63.24 111.157 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.89 -25.96 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 55.2 111.127 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -57.35 -53.06 62.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 70.42 110.895 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -56.83 -25.18 55.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 52.25 110.879 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -83.58 -44.62 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.54 110.949 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' HA ' HG22 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -59.2 -19.78 48.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.12 110.917 179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -89.64 9.58 26.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 63.12 110.831 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.91 -46.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.113 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.502 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 34.4 m -59.14 -33.83 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 54.15 111.119 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.28 -21.84 50.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 53.51 111.075 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -103.82 -25.48 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.3 110.844 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.96 71.76 0.15 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.741 -0.742 . . . . 72.4 112.472 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.502 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -70.78 82.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 74.32 111.123 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -116.62 -3.61 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.877 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.61 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -56.63 144.17 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.898 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.55 -19.84 3.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 61.03 112.459 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -108.31 -38.16 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 61.03 111.147 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.61 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -77.01 -24.7 52.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.33 111.135 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.458 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.8 t80 -80.62 -33.83 35.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 74.33 110.883 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.569 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -77.47 -22.44 51.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.35 111.104 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.97 -15.84 56.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 44.23 111.116 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.458 HD11 ' CD1' ' A' ' 34' ' ' PHE . 30.1 pt -104.77 -29.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 51.43 111.124 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.667 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -95.59 17.57 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.902 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.72 -12.05 17.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 54.54 112.459 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.571 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -78.25 -31.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 75.1 111.166 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.699 HG23 HD12 ' A' ' 42' ' ' LEU . 2.4 t -137.56 -41.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 54.34 111.141 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.699 HD12 HG23 ' A' ' 41' ' ' THR . 2.0 mp -75.13 160.46 80.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.716 . . . . 71.34 110.91 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.7 Cg_endo -69.84 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.642 2.228 . . . . 75.14 112.35 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.05 -30.47 10.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 62.3 111.089 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -67.58 -29.76 69.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 73.52 110.9 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.431 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.87 -29.8 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 72.1 111.149 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' A' ' 35' ' ' ALA . 27.4 mt -63.0 -35.58 80.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 34.2 110.926 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.59 -25.5 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 32.2 111.141 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.32 -29.39 61.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.106 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.97 35.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 71.24 111.077 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.96 -61.25 7.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 62.33 112.515 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.83 161.7 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 70.33 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp 59.48 49.16 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.35 110.924 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.91 168.31 32.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 71.01 112.512 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.739 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -55.65 125.96 23.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 70.32 111.133 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -115.58 -30.02 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 63.3 111.173 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.83 -5.55 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 42.32 111.13 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.739 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 55.25 111.098 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.352 . . . . 72.34 111.114 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -77.46 -3.88 42.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 72.11 110.94 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -107.65 -32.89 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 74.05 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.9 mt -73.78 -40.29 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 73.31 111.147 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.9 -22.06 46.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 55.13 111.143 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -86.97 -68.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.89 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.01 -63.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.925 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -80.13 -70.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 64.32 110.894 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.453 ' O ' HD23 ' A' ' 12' ' ' LEU . . . 90.55 -67.06 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 70.53 112.484 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm 59.9 61.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.871 0.367 . . . . 72.42 111.143 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 51.56 31.07 7.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.888 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -52.28 140.06 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.51 110.928 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . -81.8 79.52 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 42.2 111.053 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -94.77 25.35 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 70.42 111.134 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.94 -69.63 1.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 52.23 112.474 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.8 m -101.84 -33.41 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.754 0.311 . . . . 44.11 111.086 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -60.04 -20.43 57.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 43.21 111.091 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -56.31 -52.52 64.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.893 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.2 -26.52 60.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 33.34 110.867 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.768 HD13 HD13 ' A' ' 37' ' ' ILE . 38.8 mt -80.74 -44.52 18.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 72.52 110.891 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.443 ' HA ' HG22 ' A' ' 24' ' ' VAL . 23.7 mt -69.27 -12.13 61.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.939 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -98.19 3.53 48.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.849 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.04 -38.27 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.057 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 20' ' ' LEU . 35.8 m -64.59 -33.9 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 60.11 111.091 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.19 -22.69 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 55.13 111.093 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -76.94 -38.99 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.44 110.911 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 163.7 82.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 53.12 112.496 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 24' ' ' VAL . . . -125.84 103.86 8.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 60.13 111.078 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.5 t -81.12 -0.76 41.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 65.25 110.859 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -51.25 146.01 7.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 54.05 110.914 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.16 -34.9 0.53 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.781 -0.723 . . . . 72.53 112.466 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.62 -48.21 11.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 74.04 111.138 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.03 69.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.42 111.163 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.658 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.2 t80 -73.52 -29.17 62.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.866 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.518 ' HA ' HD21 ' A' ' 47' ' ' LEU . . . -79.65 -22.76 43.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 64.51 111.123 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.9 -12.2 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 51.15 111.042 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.768 HD13 HD13 ' A' ' 20' ' ' LEU . 26.0 pt -106.95 -29.06 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 62.53 111.126 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.665 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.6 mp -96.59 17.65 15.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 64.31 110.885 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.81 -11.42 19.05 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 55.43 112.436 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG13 HG22 ' A' ' 41' ' ' THR . 5.2 p -78.78 -31.94 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 71.01 111.141 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.668 HG23 HD12 ' A' ' 42' ' ' LEU . 2.2 t -137.79 -41.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 44.33 111.111 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.668 HD12 HG23 ' A' ' 41' ' ' THR . 2.0 mp -74.94 160.48 80.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 74.41 110.904 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 74.25 112.324 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.26 -28.78 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 60.3 111.081 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -68.39 -29.67 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.24 110.882 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.18 -29.28 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.12 111.06 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' ' 35' ' ' ALA . 28.3 mt -64.73 -45.8 84.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 65.4 110.919 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.96 -34.7 64.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.22 111.111 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.43 -25.33 67.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 53.2 111.088 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.92 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.01 111.089 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.51 21.46 2.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 71.4 112.452 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.09 -75.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 70.1 111.052 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 mp -78.38 -71.59 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 65.12 110.888 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.37 38.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 71.04 112.489 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -93.33 115.33 27.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 75.41 111.116 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.0 t -115.24 -31.17 6.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 63.12 111.141 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.39 -15.52 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.084 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.703 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 64.24 111.131 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.0 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.818 0.342 . . . . 60.21 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -78.09 -4.0 45.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -109.7 -32.38 7.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.899 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.725 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -75.82 -32.54 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 75.44 111.158 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.32 -16.95 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 43.45 111.091 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.45 -68.57 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 64.45 110.881 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -54.37 -62.44 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.904 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -78.54 -71.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 72.14 110.869 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.77 80.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 72.21 112.469 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.6 mt -96.63 108.68 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 73.55 111.112 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 52.96 34.13 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 62.01 110.879 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.5 tp -54.11 134.22 44.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.929 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.83 78.53 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 64.22 111.091 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 t -95.22 24.67 4.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 74.11 111.13 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.28 -49.99 2.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 72.12 112.481 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -130.48 -40.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 74.13 111.156 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.22 -22.55 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 63.3 111.126 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -62.7 -48.05 80.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.846 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -59.99 -25.39 65.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.878 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.531 ' O ' HG22 ' A' ' 24' ' ' VAL . 35.1 mt -77.23 -44.62 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 73.44 110.906 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.427 ' HA ' HG22 ' A' ' 24' ' ' VAL . 29.0 mt -66.42 -14.1 61.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.55 110.945 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -96.45 9.02 42.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.876 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.57 -40.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 71.1 111.071 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 20' ' ' LEU . 35.2 m -64.86 -34.35 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 51.31 111.149 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.76 -24.16 33.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 53.43 111.062 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -75.65 -34.96 60.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 73.35 110.881 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 158.06 84.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 72.42 112.458 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.23 -41.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 65.31 111.144 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t 51.42 30.62 6.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 44.42 110.83 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.631 HD12 ' H ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -51.57 138.92 21.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 75.35 110.899 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.22 6.72 3.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 65.52 112.41 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.07 -38.16 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 64.21 111.111 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.631 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -87.03 -21.5 26.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 63.42 111.078 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.651 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.5 t80 -79.09 -31.18 44.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 65.41 110.844 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.584 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -78.1 -23.04 48.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 55.35 111.064 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.43 -13.38 56.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 41.43 111.114 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.651 HD11 ' CD1' ' A' ' 34' ' ' PHE . 33.6 pt -105.23 -28.96 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.31 111.128 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.678 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.3 mp -94.96 15.9 17.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.1 110.872 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.97 -13.39 18.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 74.22 112.524 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.599 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -75.65 -31.88 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 70.21 111.123 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.652 HG23 HD12 ' A' ' 42' ' ' LEU . 2.1 t -137.91 -41.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.12 111.169 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.678 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.9 mp -74.3 160.36 81.59 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.612 0.72 . . . . 74.42 110.942 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -170.78 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.762 2.308 . . . . 45.25 112.332 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.98 -33.3 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.04 111.07 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -63.87 -32.59 74.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 73.23 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.53 -27.77 27.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.073 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.584 HD13 ' CB ' ' A' ' 35' ' ' ALA . 14.6 mt -71.55 -36.77 71.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 75.54 110.922 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.18 -25.53 51.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 51.44 111.082 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.87 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.33 111.129 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.16 -37.19 74.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 63.35 111.087 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.73 -30.66 9.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 63.04 112.519 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.44 177.43 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 70.23 111.125 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 53' ' ' LEU . 1.3 pt? -105.99 43.83 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 74.34 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.04 -47.61 0.94 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.777 -0.725 . . . . 40.24 112.453 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -151.27 111.29 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 74.45 111.112 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 t -115.41 -26.72 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 50.54 111.114 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.41 -4.73 7.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 73.31 111.082 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.725 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 42.32 111.1 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.4 mm . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.848 0.356 . . . . 75.43 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -80.97 -1.5 43.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 65.1 110.903 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -111.62 -38.17 4.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 75.24 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -65.8 -37.67 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 72.34 111.122 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.38 -17.03 58.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 73.33 111.088 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -86.71 -74.49 0.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 65.12 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -52.38 -63.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 72.01 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -77.98 -70.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 64.14 110.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.96 75.43 1.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 43.24 112.464 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mm -81.74 150.04 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 72.11 111.147 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -76.28 69.68 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 74.51 110.853 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 147.17 30.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 65.13 110.955 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . -83.79 88.37 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 63.21 111.101 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.3 t -95.06 25.62 4.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.55 111.101 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.09 -49.38 1.25 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 24.35 112.514 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 m -115.7 -23.77 8.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.743 0.306 . . . . 70.45 111.156 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -88.66 -18.68 27.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 71.24 111.054 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -54.6 -37.76 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 74.24 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -64.39 -39.73 94.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.921 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.1 mt -71.0 -47.89 56.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 53.21 110.923 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 21' ' ' LEU . 3.2 tm? -59.13 -24.67 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 53.22 110.909 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -82.31 1.87 34.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 55.21 110.844 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.52 -50.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 75.21 111.061 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.528 HG22 ' HA ' ' A' ' 21' ' ' LEU . 13.5 m -58.22 -28.08 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 74.15 111.084 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.28 -3.23 38.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.052 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -113.7 -20.43 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 53.13 110.839 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.83 -39.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 45.12 112.454 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . 57.39 58.61 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 72.41 111.094 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 p -98.92 -46.98 5.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.836 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.52 148.79 4.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 72.44 110.893 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.81 -35.49 0.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.68 -0.771 . . . . 43.24 112.427 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -85.12 -46.55 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 72.12 111.133 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.87 -34.43 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 53.32 111.136 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.628 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.7 t80 -76.64 -31.24 57.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 61.41 110.915 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.678 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -77.34 -24.43 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 41.3 111.084 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.9 -18.08 51.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 55.35 111.11 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.628 HD11 ' CD1' ' A' ' 34' ' ' PHE . 40.9 pt -100.2 -27.64 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 74.54 111.083 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.683 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.1 mp -92.97 14.43 17.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.915 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.33 -14.74 17.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 61.13 112.502 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG13 HG22 ' A' ' 41' ' ' THR . 4.9 p -73.08 -31.68 36.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.911 0.386 . . . . 73.43 111.101 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.639 HG23 HD12 ' A' ' 42' ' ' LEU . 2.4 t -138.64 -41.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.23 111.111 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.683 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.6 mp -73.67 160.52 81.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 73.33 110.917 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -170.51 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.634 2.223 . . . . 74.5 112.364 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.36 -28.21 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 71.33 111.127 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -67.76 -31.67 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.947 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.41 -24.45 44.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 54.12 111.111 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.678 HD13 ' CB ' ' A' ' 35' ' ' ALA . 11.6 mt -74.15 -36.71 64.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 62.33 110.946 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.18 -25.27 55.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 73.34 111.124 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.15 63.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 62.51 111.08 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.46 -30.8 67.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 62.22 111.084 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.82 -43.66 60.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 74.32 112.524 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.77 -48.83 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.868 0.365 . . . . 74.22 111.096 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -145.13 112.01 5.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 71.32 110.872 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.52 -178.13 4.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 71.33 112.49 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.09 102.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 52.12 111.157 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -76.95 62.1 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 55.23 111.166 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.33 25.0 13.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 72.32 111.128 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.723 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 44.24 111.117 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.481 HD11 HD21 ' A' ' 42' ' ' LEU . 41.3 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.879 0.371 . . . . 61.43 111.166 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.648 ' OH ' HD22 ' A' ' 21' ' ' LEU . 59.1 m-85 -78.89 -3.24 43.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.881 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -109.92 -34.44 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.704 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -72.32 -34.74 50.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 63.11 111.15 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.5 -18.53 65.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 74.2 111.09 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.55 -72.04 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.3 110.883 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -52.26 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.956 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -77.41 -66.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.912 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.52 67.47 2.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 73.41 112.495 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.611 HG22 ' H ' ' A' ' 12' ' ' LEU . 45.8 mm -51.7 136.62 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 72.12 111.131 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -51.83 -37.29 51.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.89 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.611 ' H ' HG22 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -52.39 -67.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 61.12 110.906 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.51 54.02 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 64.51 111.134 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -92.2 36.34 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 71.22 111.157 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.25 44.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 62.32 112.504 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 m -129.0 -55.78 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 53.11 111.179 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.62 -25.39 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 61.21 111.097 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -56.71 -51.29 69.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.873 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -56.56 -24.9 50.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.906 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.535 ' CD1' HD13 ' A' ' 37' ' ' ILE . 40.6 mt -84.67 -46.88 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 72.51 110.936 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.648 HD22 ' OH ' ' A' ' 2' ' ' TYR . 52.5 mt -67.75 -15.82 63.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 71.25 110.908 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -96.68 9.38 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.846 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.83 -39.91 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 73.23 111.105 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 20' ' ' LEU . 34.2 m -62.37 -34.24 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 73.43 111.121 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -23.59 50.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 55.12 111.157 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -123.12 23.01 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 55.15 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.99 63.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 51.25 112.449 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -70.37 82.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 54.12 111.101 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.7 m -92.74 -6.1 49.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.828 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.793 HD11 ' HB3' ' A' ' 33' ' ' ALA . 1.5 mm? -57.2 -179.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 61.5 110.901 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.37 -22.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 60.22 112.482 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.6 m -113.7 -32.95 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.787 0.327 . . . . 42.33 111.143 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.793 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -90.35 -25.48 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 53.52 111.09 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.9 t80 -63.95 -30.0 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.882 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.56 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -77.5 -24.11 50.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 52.33 111.143 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.56 -16.86 55.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 74.42 111.132 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.535 HD13 ' CD1' ' A' ' 20' ' ' LEU . 36.4 pt -102.36 -28.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.35 111.136 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.664 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -98.02 17.62 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 65.34 110.937 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.39 -12.53 19.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 71.14 112.521 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.599 HG13 HG22 ' A' ' 41' ' ' THR . 5.2 p -75.58 -31.61 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.403 . . . . 64.24 111.134 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 HD12 ' A' ' 42' ' ' LEU . 2.5 t -139.21 -41.39 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 64.13 111.136 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.679 HD12 HG23 ' A' ' 41' ' ' THR . 1.9 mp -73.89 160.4 81.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 73.4 110.891 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.74 -170.91 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.713 2.275 . . . . 72.13 112.356 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.54 -28.64 11.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 71.43 111.094 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.1 p-90 -69.3 -29.64 67.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 54.3 110.932 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.73 -29.86 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 71.31 111.084 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 35' ' ' ALA . 24.7 mt -61.65 -39.68 92.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 65.13 110.932 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.98 -28.71 70.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 45.22 111.101 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.85 -24.33 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 70.33 111.115 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.74 -30.23 21.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 63.41 111.096 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.84 24.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 63.31 112.479 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.8 -178.26 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 71.04 111.142 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -51.87 121.72 7.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 75.25 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.09 -73.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 73.02 112.493 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.57 101.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 63.51 111.101 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.02 62.34 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 64.41 111.125 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.27 26.89 13.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.43 111.114 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.704 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.53 111.064 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.796 0.331 . . . . 65.13 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -81.39 -1.48 45.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.02 110.93 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -111.43 -37.83 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 64.43 110.89 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.5 mp -64.49 -37.62 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 54.51 111.139 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.43 -18.86 53.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.22 111.117 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -85.46 -71.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.845 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -56.72 -63.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.91 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -75.56 -71.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.847 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.83 85.94 1.78 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 75.24 112.473 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.9 mt -95.66 147.27 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 74.45 111.17 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -98.39 40.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 63.42 110.848 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.728 HD11 HG21 ' A' ' 41' ' ' THR . 0.2 OUTLIER -66.74 -69.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.5 110.873 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.41 59.11 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 72.01 111.135 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.6 t -58.72 -18.23 29.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 71.33 111.157 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.99 -54.61 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 53.1 112.491 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.4 m -51.79 -70.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 52.11 111.153 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.57 -45.28 63.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 31.43 111.095 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -45.87 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.867 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -61.13 -24.28 66.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.905 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.589 HD13 HD13 ' A' ' 37' ' ' ILE . 19.2 mt -86.39 -49.75 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 61.43 110.929 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -20.29 56.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 62.52 110.871 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -99.69 -0.97 39.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 62.02 110.9 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.82 -16.25 9.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 75.43 111.102 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 20' ' ' LEU . 28.5 m -88.47 -31.35 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 65.22 111.101 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.69 -24.77 36.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.122 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -74.24 -25.93 59.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.874 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.59 83.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 51.21 112.496 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.98 114.98 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 73.03 111.069 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 m -112.95 27.78 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 41.23 110.855 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -51.71 144.4 11.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 51.42 110.92 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.43 -25.51 2.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.76 . . . . 52.22 112.467 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -96.69 -43.33 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 74.53 111.157 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.41 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -63.81 -35.18 79.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 44.34 111.158 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.676 ' CD1' HD11 ' A' ' 37' ' ' ILE . 5.3 t80 -66.37 -28.1 68.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 73.43 110.899 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.601 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -78.76 -21.35 48.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 60.44 111.144 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.45 -15.19 58.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 54.44 111.069 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.676 HD11 ' CD1' ' A' ' 34' ' ' PHE . 27.9 pt -105.36 -28.32 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 63.54 111.137 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.678 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.3 mp -98.12 13.89 29.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 71.02 110.897 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -106.9 -13.83 20.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 63.21 112.538 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.615 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -73.35 -30.19 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.363 . . . . 64.13 111.092 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.728 HG21 HD11 ' A' ' 12' ' ' LEU . 2.2 t -141.38 -41.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.32 111.154 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.678 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.7 mp -72.36 160.37 82.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 72.45 110.906 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -170.8 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 73.34 112.336 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.96 -27.39 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 71.12 111.12 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -68.49 -30.27 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 71.13 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.62 42.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.077 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 35' ' ' ALA . 12.6 mt -74.24 -39.2 63.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 55.22 110.877 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.28 -24.59 59.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.14 111.105 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.68 -23.99 61.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 70.34 111.111 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.93 -25.3 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 73.04 111.113 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.65 -20.77 18.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 65.51 112.479 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.8 -75.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 55.02 111.114 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.0 mt -132.3 77.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 64.3 110.916 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.63 177.28 7.9 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 65.52 112.533 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.52 102.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 71.41 111.113 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.0 62.14 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 74.34 111.159 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.21 25.02 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 65.2 111.126 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.709 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.01 111.117 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.833 0.349 . . . . 65.43 111.135 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -77.56 -4.3 45.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.903 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -108.51 -33.73 6.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.947 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -73.23 -39.76 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 73.02 111.132 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.777 ' HB1' HD22 ' A' ' 12' ' ' LEU . . . -60.08 -20.36 57.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 74.1 111.101 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -88.04 -70.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.897 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -52.34 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.893 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -80.17 -70.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 62.02 110.855 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.545 ' C ' HD12 ' A' ' 10' ' ' ILE . . . 90.0 -50.93 3.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 73.45 112.555 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.545 HD12 ' C ' ' A' ' 9' ' ' GLY . 3.2 mp 54.64 56.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 73.34 111.113 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.3 m80 51.64 35.01 13.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.876 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.777 HD22 ' HB1' ' A' ' 5' ' ' ALA . 20.7 tp -54.69 131.69 44.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.31 110.884 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.06 77.51 10.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 42.42 111.073 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -94.82 25.05 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 71.32 111.175 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.07 -35.02 25.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 75.21 112.437 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.6 m -116.6 -23.42 8.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 74.24 111.14 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.02 -22.54 50.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 63.51 111.097 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -53.96 -38.1 64.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.925 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -25.07 64.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 72.15 110.9 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.523 HD13 HD13 ' A' ' 37' ' ' ILE . 13.9 mt -85.37 -51.5 6.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 54.43 110.925 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.453 ' HA ' HG22 ' A' ' 24' ' ' VAL . 43.7 mt -59.47 -20.7 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 71.51 110.898 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -90.89 9.97 28.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 63.12 110.867 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.41 -40.31 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 73.01 111.105 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.66 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 22.1 m -60.37 -31.32 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 61.13 111.129 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.85 -23.72 66.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 65.24 111.151 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.4 t -101.2 -25.74 13.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 51.45 110.849 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.95 78.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.717 . . . . 61.25 112.53 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.66 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -70.79 82.46 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 63.03 111.082 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 m -92.02 -35.08 14.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.838 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -51.67 145.84 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 75.24 110.9 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.17 -33.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.76 . . . . 71.34 112.463 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -86.68 -49.58 7.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.748 0.309 . . . . 63.42 111.148 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.09 -39.04 65.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 72.13 111.07 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -69.63 -28.87 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.919 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.13 -21.04 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 44.43 111.069 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.04 -17.76 49.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 53.11 111.136 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.523 HD13 HD13 ' A' ' 20' ' ' LEU . 5.8 pt -103.36 -22.26 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.129 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.655 ' CD2' HD22 ' A' ' 42' ' ' LEU . 5.3 mp -105.41 -16.19 14.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 75.35 110.885 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.55 3.39 85.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 64.12 112.5 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -99.88 -36.29 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 75.22 111.158 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.586 HG23 HD12 ' A' ' 42' ' ' LEU . 4.5 t -129.06 -42.0 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 72.01 111.196 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.655 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.7 mp -72.88 163.41 68.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.633 0.73 . . . . 70.44 110.909 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.1 Cg_endo -69.81 -172.8 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 71.33 112.295 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.0 -38.02 9.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 71.04 111.095 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -59.66 -30.65 68.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.934 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.97 -42.44 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.094 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.3 mt -58.33 -31.7 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 55.31 110.917 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.51 -35.41 30.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 71.41 111.127 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.23 -26.28 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.2 111.098 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.39 -30.37 39.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 52.33 111.1 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.41 39.73 1.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 63.22 112.442 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.91 167.69 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 71.15 111.112 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.516 HD13 ' N ' ' A' ' 54' ' ' GLY . 0.3 OUTLIER -60.5 126.61 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.54 110.931 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.516 ' N ' HD13 ' A' ' 53' ' ' LEU . . . 158.74 -153.48 24.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 54.12 112.466 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.2 120.71 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 73.12 111.118 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 t -121.12 -36.24 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.52 111.131 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.44 -7.78 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 72.33 111.122 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 64.03 111.128 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.4 mm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.866 0.365 . . . . 75.23 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -77.87 -5.54 51.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 72.54 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -109.19 -32.69 7.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -75.82 -31.95 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 72.12 111.114 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.1 -17.49 64.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.34 111.115 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -92.68 -63.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.11 110.859 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -59.36 -63.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 65.04 110.897 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -77.81 -71.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 71.13 110.906 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.37 83.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 73.12 112.5 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mt -92.96 62.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 75.14 111.121 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 51.38 31.09 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 52.13 110.856 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -61.98 -17.78 58.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 72.42 110.927 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.6 57.93 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.126 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.736 HG23 ' H ' ' A' ' 16' ' ' THR . 7.1 t -63.91 -13.19 43.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 74.2 111.142 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.82 -13.87 66.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 73.41 112.498 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.736 ' H ' HG23 ' A' ' 14' ' ' THR . 87.4 m -99.03 -21.13 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 71.33 111.135 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.03 -22.03 23.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 61.22 111.123 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.83 -35.31 44.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.879 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -70.49 -39.79 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.917 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.95 -47.78 76.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 65.14 110.908 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' HA ' HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -58.43 -23.18 56.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 60.01 110.945 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -91.05 13.57 16.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 72.3 110.857 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.97 -40.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 50.42 111.106 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.613 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 22.4 m -64.7 -32.25 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 55.44 111.118 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -16.94 58.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 65.04 111.101 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -120.68 13.89 11.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 52.24 110.829 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.98 78.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 52.22 112.475 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.613 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -71.75 82.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 65.53 111.092 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.49 -39.08 12.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 74.34 110.87 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.59 144.44 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 44.21 110.936 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.7 -33.39 0.61 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 52.35 112.503 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.01 -48.47 9.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 75.41 111.143 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.9 85.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 60.0 111.102 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.9 t80 -66.57 -30.8 71.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.886 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.51 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -79.56 -22.89 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 71.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -17.14 51.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 65.15 111.114 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.477 HG13 HD12 ' A' ' 38' ' ' LEU . 27.3 pt -101.96 -25.64 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 63.41 111.111 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.671 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -96.72 15.95 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 73.03 110.903 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.78 -12.14 19.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 62.13 112.464 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.572 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -78.26 -32.07 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 74.3 111.109 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.667 HG23 HD12 ' A' ' 42' ' ' LEU . 2.4 t -137.18 -40.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 74.01 111.186 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.671 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.8 mp -75.01 160.54 80.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 74.33 110.907 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -170.87 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 73.31 112.307 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.22 -29.62 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 54.34 111.089 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -66.68 -31.39 72.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.903 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.11 -29.51 22.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 74.3 111.09 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.51 HD13 ' CB ' ' A' ' 35' ' ' ALA . 17.5 mt -67.96 -38.12 82.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.898 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.96 -26.34 66.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 64.33 111.098 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.19 -26.72 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.134 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.39 -25.8 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.18 19.63 48.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 71.45 112.487 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.94 -65.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 72.32 111.067 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.9 -70.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 63.03 110.927 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.43 143.21 4.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 53.44 112.493 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.86 101.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 70.34 111.084 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 t -77.01 62.49 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 70.22 111.114 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.09 27.17 14.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.14 111.094 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.729 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 54.14 111.094 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 38.2 mm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.779 0.323 . . . . 51.41 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -78.47 -3.66 44.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 71.2 110.911 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -108.39 -31.97 7.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 63.31 110.966 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.73 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -74.86 -32.78 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.12 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.83 -19.43 64.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 62.2 111.129 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -87.17 -65.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.874 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -59.06 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 72.55 110.916 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -75.83 -64.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 63.54 110.921 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.37 86.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 73.42 112.512 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.23 107.73 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 74.14 111.172 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.22 105.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 62.1 110.865 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.9 tp -140.08 -75.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 70.51 110.883 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 51.97 67.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 71.54 111.058 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 16' ' ' THR . 6.9 t -72.07 -9.39 58.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 71.13 111.131 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.23 -14.65 63.09 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.686 -0.768 . . . . 74.31 112.504 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.694 ' H ' HG23 ' A' ' 14' ' ' THR . 89.3 m -105.4 -21.13 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 63.23 111.105 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.61 -48.61 18.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.34 111.102 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -53.92 -27.42 30.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.922 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -68.01 -32.04 72.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.54 110.906 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.45 HD12 HD13 ' A' ' 37' ' ' ILE . 27.1 mt -70.41 -47.07 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 64.34 110.91 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.419 ' HA ' HG22 ' A' ' 24' ' ' VAL . 5.0 mt -59.6 -19.27 47.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 70.53 110.885 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -93.66 12.83 24.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.855 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.24 -41.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 74.31 111.137 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 28.4 m -63.02 -32.2 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.22 111.117 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.77 -15.83 59.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 71.41 111.114 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m -126.74 17.74 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.19 65.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 55.41 112.529 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.512 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -71.67 82.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 41.31 111.128 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 t -106.01 -35.3 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.847 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.17 143.13 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 63.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.79 -35.01 0.46 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 53.1 112.477 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -79.46 -52.61 7.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 74.21 111.093 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.01 -34.97 61.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 63.41 111.121 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.577 ' CD1' HD11 ' A' ' 37' ' ' ILE . 5.4 t80 -70.98 -28.35 64.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 54.32 110.884 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.797 ' HB1' HD13 ' A' ' 47' ' ' LEU . . . -79.24 -22.08 45.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 75.21 111.074 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.14 -16.74 52.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 53.14 111.092 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 34' ' ' PHE . 17.1 pt -100.61 -22.35 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 75.45 111.095 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.657 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.6 mp -97.55 14.37 26.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 72.55 110.904 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.54 -14.43 17.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 61.44 112.491 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.6 HG13 HG22 ' A' ' 41' ' ' THR . 4.8 p -74.13 -31.94 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.925 0.393 . . . . 71.52 111.133 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.666 HG23 HD12 ' A' ' 42' ' ' LEU . 2.2 t -137.36 -41.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.52 111.137 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.666 HD12 HG23 ' A' ' 41' ' ' THR . 2.0 mp -74.68 160.46 80.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 65.33 110.934 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -170.8 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 74.31 112.341 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.66 -30.63 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.106 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -65.26 -31.68 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.83 -26.65 58.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.35 111.1 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.797 HD13 ' HB1' ' A' ' 35' ' ' ALA . 11.2 mt -72.67 -34.82 67.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.936 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.81 -28.44 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.5 111.132 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.69 -25.33 59.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.33 111.082 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.6 -26.64 27.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 72.21 111.125 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.64 -58.65 11.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 71.35 112.491 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.83 -55.6 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 75.42 111.072 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.25 144.23 31.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 63.02 110.958 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.86 139.75 20.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.77 -0.729 . . . . 30.45 112.453 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.61 101.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 73.34 111.103 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.01 62.15 2.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 64.14 111.167 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.29 26.32 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 52.54 111.094 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.73 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 65.23 111.111 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.873 0.368 . . . . 71.24 111.119 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.3 -4.45 45.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.929 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -106.2 -31.99 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 62.24 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.9 mt -72.24 -39.43 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 72.43 111.092 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.15 -16.54 60.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 64.03 111.087 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -88.11 -61.61 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 65.54 110.886 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -67.25 -64.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -71.88 -61.68 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.835 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.28 73.35 0.51 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 54.23 112.504 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.1 mm -66.36 151.58 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 65.31 111.134 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -52.08 -28.8 18.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 71.24 110.836 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.2 -46.67 62.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 62.43 110.929 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.33 56.26 1.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 45.13 111.12 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.6 t -93.14 35.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 71.24 111.178 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.39 -45.16 1.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 71.5 112.485 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 m -54.08 -62.5 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 33.33 111.136 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -33.49 73.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 111.096 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -56.87 -51.6 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.85 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -62.88 -26.81 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.917 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.553 HD13 HD13 ' A' ' 37' ' ' ILE . 35.5 mt -75.29 -44.47 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.881 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HA ' HG22 ' A' ' 24' ' ' VAL . 34.5 mt -69.09 -13.62 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 75.45 110.889 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -97.63 8.2 45.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 71.11 110.852 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.09 -39.59 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 74.2 111.104 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 20' ' ' LEU . 35.5 m -64.18 -33.51 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 35.54 111.143 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -22.02 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 63.24 111.114 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -77.77 -39.27 44.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 70.41 110.87 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.12 82.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.474 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.444 ' HB2' ' HA ' ' A' ' 24' ' ' VAL . . . -127.92 105.17 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 63.1 111.073 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -86.09 4.37 38.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.861 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -51.52 143.75 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.948 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.55 -33.73 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 73.01 112.479 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -83.87 -49.6 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 73.13 111.121 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.42 -36.74 66.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 61.45 111.074 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.4 t80 -75.9 -29.79 58.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 72.41 110.863 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.594 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -78.75 -22.45 46.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 71.44 111.075 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.8 -16.15 56.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 54.33 111.116 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.56 HD11 ' CD1' ' A' ' 34' ' ' PHE . 33.4 pt -104.36 -29.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 75.15 111.167 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.637 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.8 mp -98.24 17.98 17.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.885 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.75 -10.17 23.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 63.43 112.462 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.595 HG13 HG22 ' A' ' 41' ' ' THR . 5.3 p -78.34 -31.21 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 63.32 111.153 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.653 HG23 HD12 ' A' ' 42' ' ' LEU . 2.5 t -139.91 -41.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 45.14 111.169 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.653 HD12 HG23 ' A' ' 41' ' ' THR . 1.9 mp -73.72 160.58 81.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.631 0.729 . . . . 73.32 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -170.8 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.653 2.235 . . . . 75.51 112.329 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.8 -29.79 10.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 52.24 111.135 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -67.76 -33.16 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.949 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.98 -25.18 42.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 65.5 111.098 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 35' ' ' ALA . 14.3 mt -71.41 -36.58 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 72.22 110.915 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.73 -25.35 41.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 30.42 111.091 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.88 -37.24 62.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 44.32 111.135 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.84 24.1 5.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 42.22 111.118 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.26 -39.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.65 -0.786 . . . . 64.45 112.449 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.18 -53.06 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 52.11 111.071 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.9 tp -169.69 135.34 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.96 -143.24 10.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 72.53 112.544 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -53.57 110.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 73.44 111.14 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 t -116.44 -25.0 7.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 72.55 111.178 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.09 -14.64 9.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 64.44 111.142 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.69 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 61.11 111.098 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.5 mm . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.87 0.367 . . . . 65.33 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -80.05 -2.2 43.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 72.14 110.942 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -111.04 -35.04 6.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 71.25 110.926 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -71.0 -37.99 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.22 111.147 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.97 -19.25 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 60.4 111.113 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -87.66 -69.06 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.834 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -56.62 -62.96 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 51.21 110.938 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.411 ' CD1' HG23 ' A' ' 4' ' ' ILE . 52.5 m-85 -77.13 -71.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.834 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.51 92.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 70.14 112.486 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.07 80.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 53.42 111.112 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.4 m170 58.93 25.5 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 75.14 110.827 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.504 HD22 ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -53.07 141.74 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.911 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.428 ' H ' HD13 ' A' ' 12' ' ' LEU . . . -85.35 76.42 10.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 74.31 111.069 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 t -94.91 31.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 72.22 111.112 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.21 -34.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 75.2 112.479 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -104.13 -66.95 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 74.41 111.15 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.92 -22.99 28.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 74.34 111.158 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.03 -35.25 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.864 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -33.64 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.918 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.699 HD13 HD13 ' A' ' 37' ' ' ILE . 26.5 mt -64.79 -43.37 93.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 74.03 110.893 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.35 -13.6 60.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.13 110.912 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -102.69 -2.27 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 54.42 110.819 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -118.61 -26.97 6.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.079 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 20' ' ' LEU . 29.3 m -77.17 -31.36 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 45.12 111.18 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.05 -22.88 42.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.34 111.051 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -74.92 -33.62 62.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 52.42 110.84 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.93 78.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 65.5 112.5 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.42 115.48 6.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 63.25 111.099 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.7 p -117.27 37.8 3.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 60.53 110.852 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.606 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -52.09 143.57 13.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 64.35 110.909 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.13 -18.74 4.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.781 -0.723 . . . . 41.44 112.493 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.5 m -107.85 -41.59 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 73.35 111.108 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.606 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -78.18 -29.39 48.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 51.5 111.112 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.706 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.1 t80 -72.3 -25.7 61.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.886 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.0 -20.35 45.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 72.4 111.141 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.48 -16.68 51.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 62.34 111.107 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.706 HD11 ' CD1' ' A' ' 34' ' ' PHE . 11.0 pt -105.28 -23.94 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 61.43 111.113 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.659 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.8 mp -102.27 -18.54 15.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 70.12 110.925 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.68 3.27 87.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.732 . . . . 61.1 112.485 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -98.59 -35.65 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.391 . . . . 64.22 111.112 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.612 HG23 HD12 ' A' ' 42' ' ' LEU . 4.9 t -131.39 -41.73 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 50.33 111.107 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.659 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.7 mp -72.25 163.41 67.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 73.13 110.898 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.577 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.9 Cg_endo -69.77 -173.15 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.622 2.215 . . . . 55.21 112.334 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.48 -47.7 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 75.12 111.105 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -53.59 -32.47 51.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 65.4 110.924 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.577 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -52.0 -40.37 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 70.11 111.041 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.1 mt -52.24 -42.31 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.26 -0.427 . . . . 75.51 110.918 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.32 -25.1 61.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 54.21 111.097 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.41 -24.43 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 54.24 111.121 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.69 -42.4 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.42 111.08 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.28 -79.13 0.46 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.742 . . . . 75.43 112.534 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.39 155.07 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 63.21 111.098 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.432 HD23 ' H ' ' A' ' 53' ' ' LEU . 1.7 pt? -51.92 143.07 14.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.902 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.81 -79.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 50.41 112.507 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.39 100.38 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 61.4 111.094 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -77.02 63.23 2.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.093 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.24 25.44 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 53.22 111.108 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 41.03 111.073 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 39.0 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.879 0.371 . . . . 61.43 111.15 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.448 ' CZ ' HD22 ' A' ' 21' ' ' LEU . 64.1 m-85 -80.89 -2.77 48.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.925 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -112.97 -40.71 3.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 52.21 110.909 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -65.88 -38.54 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 74.45 111.09 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.06 62.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.084 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -86.53 -73.56 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 75.44 110.867 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -51.5 -62.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.858 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -77.79 -63.12 1.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 72.31 110.863 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.3 74.32 0.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 74.4 112.531 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.2 mm -66.19 149.94 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 73.34 111.131 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -77.93 59.23 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.799 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 13' ' ' ALA . 20.9 tp -107.39 148.29 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 54.23 110.912 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' H ' HD12 ' A' ' 12' ' ' LEU . . . -76.67 64.18 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 71.14 111.115 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -93.66 20.18 7.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 61.41 111.144 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.56 -29.38 73.94 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 52.02 112.44 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.4 m -72.17 -45.38 60.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 73.31 111.141 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.63 -22.1 63.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 75.31 111.102 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -46.82 65.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.906 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -60.49 -26.0 66.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.919 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.803 HD13 HD13 ' A' ' 37' ' ' ILE . 40.4 mt -84.56 -44.9 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.893 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HA ' HG22 ' A' ' 24' ' ' VAL . 42.5 mt -59.47 -19.76 50.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 74.03 110.886 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -87.93 7.48 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.876 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.12 -47.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.31 111.097 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 21' ' ' LEU . 31.4 m -60.44 -32.79 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 73.45 111.127 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.25 -20.72 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.42 111.104 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -108.82 6.17 25.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 70.21 110.868 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.12 -73.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 42.15 112.465 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.24 63.58 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 53.21 111.086 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -110.35 -34.85 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 72.24 110.867 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.535 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -52.03 144.71 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 74.12 110.917 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.32 -22.84 3.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 42.2 112.476 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -102.11 -39.21 7.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.796 0.331 . . . . 63.41 111.168 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.535 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -72.14 -27.43 62.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 63.1 111.139 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.636 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.3 t80 -81.57 -30.37 33.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.889 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.573 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -78.79 -24.37 44.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 73.41 111.088 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.7 -15.83 55.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 60.42 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.803 HD13 HD13 ' A' ' 20' ' ' LEU . 35.8 pt -102.2 -26.3 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.082 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.682 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.3 mp -96.46 16.32 18.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 72.43 110.938 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.89 -13.51 17.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.782 -0.723 . . . . 63.14 112.517 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.582 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -75.21 -31.92 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 70.21 111.154 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.661 HG23 HD12 ' A' ' 42' ' ' LEU . 2.4 t -137.83 -41.01 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 74.24 111.131 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.682 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.9 mp -74.69 160.24 81.39 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.608 0.718 . . . . 74.5 110.844 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 54.2 Cg_endo -69.73 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 74.34 112.375 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.63 -28.53 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 75.35 111.132 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -69.86 -33.74 72.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.927 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.402 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.54 -30.18 19.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 63.23 111.113 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.573 HD13 ' CB ' ' A' ' 35' ' ' ALA . 20.5 mt -62.19 -39.77 93.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.931 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.87 -24.73 52.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 73.24 111.121 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.67 -22.6 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 72.25 111.066 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.17 -29.58 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 45.12 111.056 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.17 -24.89 42.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 75.41 112.478 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.74 -73.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 41.51 111.138 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.07 -41.76 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 71.14 110.913 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.96 -174.44 43.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 75.44 112.479 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -54.67 -30.95 56.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 63.13 111.078 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' ALA . 10.3 t 36.81 44.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.04 111.143 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.63 57.68 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 71.11 111.078 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.728 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 62.33 111.135 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.3 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.819 0.343 . . . . 64.31 111.127 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -78.64 -3.94 46.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -109.22 -33.94 6.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.502 . . . . 61.05 110.93 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.707 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -71.13 -39.28 73.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 62.4 111.102 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.61 -21.75 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 60.34 111.077 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.73 -71.02 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 64.22 110.844 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -53.77 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 72.54 110.922 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -79.32 -71.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 70.41 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.24 66.14 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 73.31 112.511 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -71.58 142.53 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 73.11 111.123 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -75.9 68.5 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 74.01 110.839 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.464 HD13 ' H ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -61.23 148.41 41.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 71.42 110.892 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' H ' HD13 ' A' ' 12' ' ' LEU . . . -75.65 79.92 2.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 71.12 111.048 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -67.4 -21.6 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 51.03 111.12 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.02 -33.01 36.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 72.34 112.513 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.6 m -118.21 -34.52 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 74.13 111.177 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.647 ' HA ' HD12 ' A' ' 20' ' ' LEU . . . -56.53 -24.39 46.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 62.3 111.139 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -52.12 -48.15 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.898 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -25.31 61.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 54.24 110.844 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.716 HD13 HD13 ' A' ' 37' ' ' ILE . 32.0 mt -72.68 -45.45 58.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 75.1 110.909 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.423 ' HA ' HG22 ' A' ' 24' ' ' VAL . 6.6 mt -59.21 -19.65 47.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.912 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.45 13.23 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.01 110.858 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.7 -41.16 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 42.22 111.115 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.638 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 33.7 m -64.25 -33.38 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 65.23 111.106 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.82 -22.27 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.31 111.133 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -99.82 -28.58 13.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.882 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.23 78.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 43.2 112.494 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.638 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -72.03 83.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 72.24 111.137 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 p -128.34 12.02 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.891 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.585 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -61.2 144.04 54.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 54.45 110.924 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.42 -21.2 3.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 52.14 112.459 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -107.08 -41.72 5.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 64.1 111.164 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.585 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -74.55 -24.58 58.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.4 111.088 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -84.46 -26.45 28.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.21 110.879 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.3 -21.25 33.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 73.22 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.87 -5.73 58.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 55.54 111.09 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.716 HD13 HD13 ' A' ' 20' ' ' LEU . 13.4 pt -115.94 -26.25 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 70.14 111.12 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.632 ' HG ' HD22 ' A' ' 42' ' ' LEU . 8.5 mp -107.91 -12.75 15.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 71.14 110.896 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.49 6.09 80.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 54.45 112.44 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.3 -37.98 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 75.31 111.152 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.628 HG23 HD12 ' A' ' 42' ' ' LEU . 8.9 t -124.48 -36.76 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.5 111.175 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.632 HD22 ' HG ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -81.07 163.81 53.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 72.24 110.898 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.534 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.77 -179.52 2.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.626 2.217 . . . . 74.43 112.365 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.02 -43.46 11.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 73.13 111.077 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.0 p-90 -55.9 -31.49 62.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.945 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -52.37 -39.19 60.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 64.52 111.125 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.3 mt -69.04 -31.26 69.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 73.3 110.883 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.3 -26.07 51.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 63.14 111.133 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.61 -25.16 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 41.42 111.08 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.94 -25.28 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 72.55 111.075 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -78.28 -19.68 73.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 70.23 112.46 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.57 -65.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 73.22 111.12 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.3 mt -75.21 -41.88 56.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 45.12 110.964 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.99 174.96 20.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.74 . . . . 73.34 112.483 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.04 -25.61 61.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 65.15 111.075 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 6.1 p 51.55 29.08 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 73.12 111.135 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 56' ' ' THR . . . 66.67 35.97 4.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 64.3 111.09 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.707 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.01 111.081 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.7 mm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.817 0.341 . . . . 74.14 111.107 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.481 ' OH ' HD13 ' A' ' 21' ' ' LEU . 47.6 m-85 -78.74 -3.05 42.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 65.04 110.921 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -109.44 -33.16 6.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 75.43 110.959 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.8 mp -74.01 -37.63 47.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 73.3 111.193 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.66 -18.24 61.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 64.12 111.141 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -91.05 -60.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 71.33 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -62.97 -64.14 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 72.1 110.943 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.405 ' CD1' HG23 ' A' ' 4' ' ' ILE . 53.1 m-85 -77.09 -66.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 71.22 110.883 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.56 69.06 1.37 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 73.21 112.449 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -51.4 127.7 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 62.23 111.132 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -55.3 -43.8 75.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.816 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.504 HD12 ' H ' ' A' ' 13' ' ' ALA . 26.2 tp -51.83 149.63 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 73.03 110.959 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.504 ' H ' HD12 ' A' ' 12' ' ' LEU . . . -77.32 60.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.43 111.112 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -94.96 35.07 1.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 71.4 111.125 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.13 64.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 72.25 112.473 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.7 m -63.13 -20.61 65.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 62.42 111.121 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 37' ' ' ILE . . . -65.19 -24.13 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 71.44 111.102 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -52.24 -45.0 65.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 75.44 110.927 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -69.44 -23.57 63.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.32 110.876 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.6 ' O ' HG22 ' A' ' 24' ' ' VAL . 26.6 mt -80.12 -45.42 18.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.916 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD13 ' OH ' ' A' ' 2' ' ' TYR . 36.0 mt -65.95 -14.0 60.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 74.15 110.916 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -102.51 -3.05 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 62.02 110.877 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.66 -25.4 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.03 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 20' ' ' LEU . 28.5 m -77.47 -31.17 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 73.4 111.134 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.41 -23.47 38.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 44.22 111.146 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -73.41 -35.35 65.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 71.13 110.86 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 165.35 75.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.757 . . . . 73.13 112.483 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB3' ' CB ' ' A' ' 24' ' ' VAL . . . -151.52 118.75 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 52.14 111.081 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.9 m -89.09 49.32 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 53.35 110.848 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.745 HD11 ' HB3' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -53.73 145.11 16.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 71.24 110.889 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.21 -34.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 75.03 112.527 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -94.84 -23.61 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 63.42 111.144 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.745 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -92.39 -27.31 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 70.15 111.1 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -57.22 -25.69 59.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.881 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.75 -19.05 38.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.2 111.097 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.05 -9.51 59.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.065 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 17' ' ' ALA . 13.9 pt -109.55 -26.71 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 44.04 111.139 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.646 ' HG ' HD22 ' A' ' 42' ' ' LEU . 8.7 mp -107.81 -12.81 15.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 70.52 110.946 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.45 5.95 80.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 70.45 112.521 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.21 -37.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 61.02 111.103 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.626 HG23 HD12 ' A' ' 42' ' ' LEU . 8.5 t -124.42 -36.81 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.33 111.13 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.646 HD22 ' HG ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -81.05 163.77 53.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 74.32 110.895 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.76 -170.57 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.263 . . . . 71.14 112.326 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.01 -32.98 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 55.51 111.05 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -66.91 -28.59 68.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 71.21 110.94 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.6 -41.98 61.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 63.22 111.127 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.8 mt -52.33 -40.54 62.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.84 -24.5 38.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 54.24 111.154 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HA ' HD23 ' A' ' 53' ' ' LEU . . . -72.86 -21.63 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 72.54 111.11 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.53 -30.1 19.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 63.1 111.116 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.03 -78.24 0.15 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 22.1 112.484 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.688 ' O ' HD22 ' A' ' 53' ' ' LEU . . . -170.83 108.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 33.55 111.055 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.688 HD22 ' O ' ' A' ' 52' ' ' ALA . 4.1 mm? -133.38 -74.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 64.52 110.902 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -130.81 -98.13 0.78 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 65.13 112.51 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.6 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -72.89 77.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 40.32 111.097 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.2 t -93.0 -24.58 18.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.143 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.51 -8.87 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 71.12 111.098 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.696 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 51.3 111.06 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 43.9 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.854 0.359 . . . . 74.04 111.124 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -75.8 -7.14 53.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 73.03 110.92 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -109.22 -33.41 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 75.34 110.947 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.739 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -75.5 -34.22 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 62.25 111.146 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 13' ' ' ALA . . . -66.54 -18.25 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 41.24 111.086 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -91.98 -62.24 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 70.1 110.868 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.41 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 53.3 110.866 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -78.13 -70.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.91 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.19 81.92 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.76 -0.733 . . . . 43.42 112.454 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.421 HG22 ' ND1' ' A' ' 11' ' ' HIS . 5.4 mp -97.0 -72.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 62.33 111.144 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.421 ' ND1' HG22 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -116.36 -27.23 6.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.02 110.859 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -68.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 70.21 110.934 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB2' ' HB1' ' A' ' 5' ' ' ALA . . . -83.88 56.67 3.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 71.24 111.093 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.8 t -93.43 35.94 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 54.32 111.133 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.48 -42.47 2.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 64.21 112.498 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -68.13 -66.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 62.24 111.099 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.61 20.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 74.43 111.124 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -55.13 -42.7 73.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -75.05 -24.58 58.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.891 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.82 HD13 HD13 ' A' ' 37' ' ' ILE . 37.4 mt -75.9 -45.39 35.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 71.02 110.937 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.481 ' HA ' HG22 ' A' ' 24' ' ' VAL . 51.6 mt -59.16 -19.48 45.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 63.33 110.971 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -89.14 8.79 28.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 74.34 110.824 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.61 -46.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.24 111.101 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 21' ' ' LEU . 33.4 m -59.92 -33.79 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 63.21 111.158 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.0 -21.7 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.54 111.125 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 m -97.65 -20.65 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 70.15 110.883 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.75 -68.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 64.4 112.5 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . 57.66 66.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 72.2 111.086 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.0 t -155.0 24.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.864 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.68 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 54.42 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.27 -6.57 59.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 61.31 112.485 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.9 m -128.99 -42.06 1.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 53.24 111.154 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.9 -25.02 20.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.111 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -71.73 -39.96 69.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.926 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.54 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -73.37 -20.91 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.32 111.09 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.48 -19.76 41.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 54.44 111.103 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.82 HD13 HD13 ' A' ' 20' ' ' LEU . 15.2 pt -101.56 -21.4 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 70.13 111.096 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.682 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.0 mp -101.84 13.95 33.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.932 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.37 -14.06 19.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 72.31 112.535 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG13 HG22 ' A' ' 41' ' ' THR . 5.2 p -73.59 -30.82 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 72.24 111.122 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.646 HG23 HD12 ' A' ' 42' ' ' LEU . 2.7 t -140.59 -41.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 64.42 111.132 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.682 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.6 mp -72.31 160.36 82.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 73.24 110.879 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.62 2.213 . . . . 72.43 112.328 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.54 -26.2 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 60.13 111.092 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -71.27 -30.99 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.945 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.62 -28.51 21.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 70.23 111.146 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 35' ' ' ALA . 22.3 mt -64.24 -33.41 75.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 61.43 110.902 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.72 -25.98 34.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.078 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.17 -34.85 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 62.32 111.1 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.12 -29.46 21.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.01 111.151 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.37 -41.88 99.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 52.14 112.444 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.59 -69.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 63.21 111.104 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.6 tp -159.85 142.92 13.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 63.44 110.904 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.11 -115.72 0.38 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.815 -0.707 . . . . 61.45 112.522 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.32 110.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 74.22 111.1 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.3 p -80.48 57.02 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 52.11 111.122 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 66.88 23.2 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 42.02 111.092 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.739 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 63.44 111.075 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 45.3 mm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.87 0.367 . . . . 75.21 111.129 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -78.8 -5.62 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 72.44 110.926 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -107.17 -30.56 8.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 74.32 110.89 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -74.83 -34.04 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 60.21 111.086 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.76 -15.55 61.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 71.11 111.111 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -90.57 -73.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -51.74 -63.18 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.904 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -78.89 -70.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.915 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.57 85.11 0.95 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 73.42 112.518 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.32 63.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 74.03 111.122 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -150.72 105.25 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 62.41 110.88 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.76 18.98 20.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.904 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.691 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . -93.18 59.7 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 62.43 111.072 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -94.4 36.0 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 74.04 111.157 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -124.55 -45.46 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 54.31 112.491 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.1 m -117.7 -27.34 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 65.12 111.185 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -72.51 -25.2 61.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 63.24 111.116 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -55.88 -44.71 78.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 71.52 110.873 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -17.44 62.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 71.32 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 24' ' ' VAL . 25.7 mt -93.35 -47.93 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 73.25 110.904 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' HA ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -58.54 -28.85 65.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.935 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -87.5 7.11 30.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.858 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.47 -34.08 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 61.32 111.106 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 20' ' ' LEU . 21.8 m -72.77 -26.89 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 61.22 111.167 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.4 -9.7 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.092 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.3 t -114.85 -1.14 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 61.41 110.846 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.35 -59.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 75.5 112.481 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.62 55.25 4.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 75.3 111.08 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t -119.52 -30.99 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 75.51 110.89 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.47 146.91 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 61.21 110.891 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.8 -34.76 0.47 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 64.41 112.508 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -83.42 -50.21 8.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 74.25 111.111 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.32 61.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 65.2 111.073 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CD1' HD11 ' A' ' 37' ' ' ILE . 4.8 t80 -71.95 -29.85 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.03 110.866 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' HA ' HD21 ' A' ' 47' ' ' LEU . . . -80.37 -22.82 40.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 64.22 111.112 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.89 -13.77 59.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 62.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 34' ' ' PHE . 25.1 pt -106.59 -29.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 71.3 111.128 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.668 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -91.3 12.81 19.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 75.33 110.918 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.24 -14.37 18.66 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 63.24 112.487 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -74.48 -32.05 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.961 0.41 . . . . 74.13 111.138 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.639 HG23 HD12 ' A' ' 42' ' ' LEU . 2.9 t -137.67 -41.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 73.32 111.128 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.668 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.8 mp -73.69 160.47 82.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 65.41 110.907 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 71.41 112.382 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.34 -25.1 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.41 111.093 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -72.51 -29.06 63.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.92 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.73 -29.87 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 74.13 111.102 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 35' ' ' ALA . 9.9 mt -68.55 -42.95 77.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.12 110.898 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.91 -25.71 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.3 111.135 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.47 63.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 50.22 111.085 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.91 -27.13 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 60.11 111.076 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.32 -51.97 2.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 64.22 112.469 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.54 -55.57 33.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 61.44 111.112 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.3 tp -79.21 -54.83 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 65.23 110.933 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.15 -35.09 3.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.7 -0.762 . . . . 75.31 112.478 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 55.93 85.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 73.41 111.099 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 t -74.99 71.16 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 64.11 111.168 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.08 19.93 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.109 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.727 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.107 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.589 HG13 HD21 ' A' ' 42' ' ' LEU . 49.5 mm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.863 0.363 . . . . 73.41 111.144 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -66.61 -13.94 61.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 72.2 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -108.59 -35.1 6.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 70.04 110.88 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -73.73 -33.69 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 72.31 111.146 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.02 -19.09 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 63.4 111.11 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -90.38 -66.27 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 63.52 110.886 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -56.91 -62.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 54.53 110.939 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.429 ' HB3' HD11 ' A' ' 10' ' ' ILE . 53.3 m-85 -77.52 -70.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 64.42 110.894 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.35 86.03 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 52.04 112.453 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' A' ' 8' ' ' PHE . 4.0 mp -114.16 127.02 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.89 0.376 . . . . 73.31 111.121 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.7 m80 52.44 37.64 23.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 73.15 110.869 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.598 HD21 ' NH2' ' A' ' 18' ' ' ARG . 11.3 tp -53.55 129.4 32.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.937 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.54 ' N ' HD12 ' A' ' 12' ' ' LEU . . . -101.91 79.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 64.31 111.051 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 t -64.62 -15.33 61.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 63.11 111.186 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.02 -13.8 32.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 72.23 112.48 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 m -118.55 -68.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 73.43 111.124 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.37 -49.2 61.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 71.34 111.085 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.598 ' NH2' HD21 ' A' ' 12' ' ' LEU . 7.2 tpp85 -53.24 -48.52 68.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 64.24 110.859 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -70.2 -24.08 63.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 53.1 110.919 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.717 HD13 HD13 ' A' ' 37' ' ' ILE . 29.4 mt -76.18 -44.01 39.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.933 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.508 ' HA ' HG22 ' A' ' 24' ' ' VAL . 21.0 mt -59.59 -19.05 46.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 62.41 110.946 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -86.5 5.87 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 62.05 110.883 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.97 -48.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.42 111.088 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.676 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 22.5 m -59.02 -31.72 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 73.14 111.148 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.72 -17.68 56.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 70.11 111.054 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 p -97.77 -20.93 17.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 71.24 110.882 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.74 80.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 65.52 112.509 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.676 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -67.27 -78.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 71.01 111.117 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p 57.64 20.91 6.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.873 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.609 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -78.65 145.83 34.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.963 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.49 -18.82 3.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 54.34 112.501 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.8 m -112.68 -41.43 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.52 111.133 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.609 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -77.0 -24.46 52.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 15.01 111.102 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.626 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.5 t80 -80.26 -31.43 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.42 110.873 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -77.52 -25.06 49.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 62.24 111.121 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.62 -16.98 56.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 64.31 111.13 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.717 HD13 HD13 ' A' ' 20' ' ' LEU . 31.6 pt -102.44 -25.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 70.53 111.097 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.652 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.8 mp -98.26 16.5 21.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 70.15 110.936 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.77 -13.43 18.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 74.43 112.469 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.592 HG13 HG22 ' A' ' 41' ' ' THR . 5.1 p -74.68 -31.77 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 74.14 111.134 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.622 HG23 HD12 ' A' ' 42' ' ' LEU . 2.3 t -138.59 -41.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 63.11 111.155 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.652 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.9 mp -73.66 160.1 82.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.574 0.702 . . . . 63.12 110.959 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -170.63 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.265 . . . . 75.12 112.331 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.42 -27.14 11.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.08 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -70.99 -30.2 66.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.31 -26.8 31.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 51.33 111.106 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 35' ' ' ALA . 19.5 mt -66.69 -40.06 88.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 70.24 110.867 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.49 -25.83 41.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.145 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -25.44 62.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 54.44 111.066 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.88 -27.58 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 74.12 111.118 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.32 -31.12 34.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 54.42 112.525 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.14 -73.55 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 71.33 111.06 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.54 -68.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.938 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.95 -124.55 6.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 75.13 112.5 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -71.79 -33.62 68.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.857 0.361 . . . . 74.43 111.106 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' ALA . 10.1 t 36.68 44.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.41 111.163 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.44 58.11 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.2 111.132 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.759 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 55.24 111.078 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.498 ' CD1' HD11 ' A' ' 42' ' ' LEU . 41.7 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.823 0.344 . . . . 73.12 111.122 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -79.7 -2.49 43.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.95 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -110.82 -35.19 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 74.33 110.915 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -70.99 -40.19 75.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 71.51 111.106 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.13 -19.85 55.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.15 111.092 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -87.02 -72.32 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.15 110.913 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -52.37 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 63.03 110.91 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -78.83 -70.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.859 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.11 83.08 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 61.44 112.453 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -83.54 139.7 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 62.13 111.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -75.83 70.93 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 54.2 110.857 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -113.75 21.18 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 63.31 110.909 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.83 71.13 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.01 111.084 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.603 HG23 ' H ' ' A' ' 16' ' ' THR . 10.0 t -52.13 -29.45 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 63.32 111.124 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 128.82 -19.92 5.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 74.54 112.492 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.603 ' H ' HG23 ' A' ' 14' ' ' THR . 91.7 m -109.87 -25.75 10.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.757 0.313 . . . . 54.31 111.114 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.6 77.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 34.03 111.086 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -58.17 -23.55 55.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.849 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -32.52 39.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.865 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.635 ' O ' HG22 ' A' ' 24' ' ' VAL . 24.9 mt -74.67 -37.66 62.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.914 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.79 -16.92 53.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.94 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -101.93 -1.89 30.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 75.01 110.895 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.66 -21.63 8.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.22 111.109 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 20' ' ' LEU . 18.6 m -83.46 -29.16 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.45 111.151 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.79 -23.38 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.33 111.134 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -87.73 -25.42 23.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.916 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.11 77.91 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 33.32 112.501 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.608 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -72.69 84.04 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 65.12 111.122 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -130.15 30.87 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.903 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.565 HD23 ' H ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -96.84 177.34 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.901 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.565 ' H ' HD23 ' A' ' 30' ' ' LEU . . . -137.84 -35.63 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 41.44 112.501 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.3 m -82.71 -66.76 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.762 0.315 . . . . 71.02 111.142 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.49 ' HB1' HD11 ' A' ' 20' ' ' LEU . . . -50.6 -35.81 31.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 74.43 111.104 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -73.57 -38.87 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.14 110.841 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.632 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -72.59 -21.28 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.135 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.89 -18.32 54.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 63.14 111.106 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.429 HG21 HD12 ' A' ' 20' ' ' LEU . 27.8 pt -106.14 -26.2 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 61.53 111.115 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.689 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.0 mp -97.79 15.92 22.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.917 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.24 -13.13 18.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 32.32 112.47 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.581 HG13 HG22 ' A' ' 41' ' ' THR . 5.1 p -76.3 -31.83 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 64.24 111.177 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.658 HG23 HD12 ' A' ' 42' ' ' LEU . 2.5 t -138.04 -41.18 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 61.12 111.128 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.689 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.5 mp -74.11 160.23 82.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.704 . . . . 53.21 110.91 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -171.02 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.277 . . . . 74.32 112.38 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.12 -29.67 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 45.23 111.079 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -67.82 -33.88 75.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 71.52 110.889 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.04 -25.97 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 70.22 111.09 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 35' ' ' ALA . 18.3 mt -68.13 -35.37 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 72.52 110.898 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.77 -26.23 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 53.12 111.133 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.41 -24.94 34.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 72.14 111.147 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.51 -25.26 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 52.44 111.104 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.42 -55.86 20.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 52.22 112.475 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.66 -57.66 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 70.35 111.084 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.8 mt -150.91 120.33 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.34 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.59 -111.8 1.76 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 61.23 112.513 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 102.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 64.23 111.104 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.07 62.2 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 72.52 111.117 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.3 23.47 13.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 41.02 111.104 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.716 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.125 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.6 mm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.89 0.376 . . . . 63.11 111.149 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -78.77 -3.46 44.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.935 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -111.17 -37.75 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 62.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.725 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.8 mp -69.5 -32.78 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 63.03 111.124 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.65 -17.76 65.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.12 111.116 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.98 -71.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.855 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -53.09 -62.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.893 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.58 -70.75 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 65.2 110.919 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.7 47.66 7.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 31.5 112.47 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.12 -73.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 71.24 111.161 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.13 63.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 44.22 110.833 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -66.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 65.2 110.91 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.68 72.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 72.35 111.085 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 t -102.41 31.07 4.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 71.22 111.182 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.24 -45.46 1.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 60.05 112.518 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -124.38 -44.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 71.4 111.106 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.44 -28.79 56.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 64.44 111.153 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -53.09 61.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 72.1 110.865 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -56.75 -31.99 65.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.832 HD13 HD13 ' A' ' 37' ' ' ILE . 25.7 mt -73.42 -50.17 23.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.95 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.414 ' HA ' HG22 ' A' ' 24' ' ' VAL . 49.6 mt -59.28 -21.38 59.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 52.12 110.9 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -90.96 10.83 24.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.839 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.62 -40.3 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 43.44 111.074 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.682 HG12 HD23 ' A' ' 30' ' ' LEU . 16.4 m -64.56 -26.9 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 44.33 111.129 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.39 -7.19 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 35.15 111.11 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -111.77 -22.59 11.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 54.33 110.896 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.18 -51.14 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.674 -0.774 . . . . 55.13 112.443 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.98 45.8 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 62.34 111.07 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -113.75 24.3 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 55.31 110.911 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' A' ' 33' ' ' ALA . 1.4 mm? -63.62 -179.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 51.13 110.898 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 157.96 -22.16 0.38 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.705 -0.76 . . . . 71.35 112.423 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.1 m -115.78 -29.84 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 74.41 111.186 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.805 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -94.09 -24.53 17.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 53.24 111.093 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.495 ' CD1' HD11 ' A' ' 37' ' ' ILE . 4.8 t80 -70.42 -30.78 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.855 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.645 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -78.05 -24.18 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 62.21 111.074 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.93 -15.81 56.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 63.02 111.107 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.832 HD13 HD13 ' A' ' 20' ' ' LEU . 32.4 pt -103.28 -28.16 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.43 111.077 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.665 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -93.79 14.79 18.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 52.02 110.898 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.21 -13.74 18.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 40.53 112.499 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.599 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -74.85 -31.86 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 62.21 111.121 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.65 HG23 HD12 ' A' ' 42' ' ' LEU . 2.2 t -138.17 -41.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.148 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.665 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.9 mp -73.94 160.35 82.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.622 0.725 . . . . 74.22 110.902 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 71.04 112.346 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.62 -28.95 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 71.05 111.077 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 56.4 p-90 -68.47 -32.35 72.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 73.22 110.896 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.52 -26.76 33.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 61.4 111.117 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.645 HD13 ' CB ' ' A' ' 35' ' ' ALA . 13.8 mt -69.35 -35.13 75.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.911 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.95 -26.36 60.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 74.25 111.1 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.85 -27.22 22.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 72.13 111.126 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.71 -28.51 56.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 31.23 111.088 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.07 -46.55 91.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 74.3 112.525 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.86 87.99 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 72.14 111.104 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 53' ' ' LEU . 2.1 pt? -127.61 152.49 47.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.902 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -110.7 58.17 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 50.33 112.513 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -60.11 -33.72 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 51.15 111.046 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ALA . 9.4 t 36.85 44.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 65.52 111.124 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.62 57.86 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 53.32 111.093 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.725 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 74.44 111.084 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 39.8 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.875 0.369 . . . . 74.44 111.136 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -78.25 -3.42 42.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.911 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -107.72 -33.2 7.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 75.44 110.925 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.9 mp -73.4 -38.18 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 74.25 111.151 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HB1' HD13 ' A' ' 12' ' ' LEU . . . -60.08 -19.77 54.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 62.12 111.125 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.56 -70.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 52.34 110.872 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -53.85 -63.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 62.45 110.891 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -78.88 -71.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 73.41 110.868 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.44 27.83 60.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 60.12 112.488 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.89 126.47 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 61.03 111.12 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.1 m170 53.25 47.23 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.873 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.444 HD13 ' HB1' ' A' ' 5' ' ' ALA . 33.1 tp -81.56 -74.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.901 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.07 66.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.109 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 t -76.84 -4.53 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 60.2 111.17 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.92 -27.98 60.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 75.43 112.467 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -117.27 -20.51 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 72.04 111.129 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.59 -16.26 37.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 72.04 111.092 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -54.77 -31.63 59.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 62.34 110.864 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -39.16 33.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 63.04 110.902 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.835 HD13 HD13 ' A' ' 37' ' ' ILE . 29.5 mt -68.13 -42.07 80.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 73.14 110.921 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.474 ' HA ' HG22 ' A' ' 24' ' ' VAL . 42.1 mt -59.21 -19.43 45.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 44.35 110.956 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -89.06 9.17 26.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.88 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.4 -46.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 61.24 111.102 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 33.3 m -60.06 -33.13 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 53.21 111.162 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -22.0 49.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 65.3 111.06 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 m -108.68 8.62 27.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 71.4 110.871 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.84 88.58 0.48 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 74.22 112.504 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.512 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -63.69 -78.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 73.25 111.103 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p 56.93 22.2 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 53.22 110.866 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -73.47 -174.33 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.907 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.62 -33.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 71.05 112.487 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.2 m -106.69 -27.61 10.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 42.44 111.146 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.91 -34.86 19.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 55.21 111.136 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -65.29 -37.56 87.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 65.32 110.874 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.548 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -75.95 -24.75 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.52 111.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.71 -17.01 58.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 72.43 111.083 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.835 HD13 HD13 ' A' ' 20' ' ' LEU . 17.8 pt -104.44 -21.78 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 74.45 111.132 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.633 ' HG ' HD22 ' A' ' 42' ' ' LEU . 5.2 mp -107.01 16.99 23.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 62.54 110.957 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.55 -13.82 17.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 75.34 112.519 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.596 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -73.33 -31.16 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 74.43 111.154 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.68 HG23 HD12 ' A' ' 42' ' ' LEU . 2.5 t -139.54 -41.2 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 74.31 111.195 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.68 HD12 HG23 ' A' ' 41' ' ' THR . 2.1 mp -74.34 160.18 81.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 70.25 110.934 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.7 Cg_endo -69.76 -170.58 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 71.14 112.332 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.26 -28.26 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 63.32 111.115 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.9 p-90 -69.91 -27.84 65.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 75.55 110.87 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.77 -29.53 19.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 72.0 111.128 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 35' ' ' ALA . 23.8 mt -62.36 -39.18 92.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 54.1 110.925 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.92 -25.14 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 71.32 111.099 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.47 -22.72 35.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 65.41 111.106 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.36 -23.33 43.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 51.11 111.081 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.12 -33.58 37.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 71.25 112.507 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.43 126.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 75.43 111.067 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 mt -157.56 178.07 10.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 64.4 110.925 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.54 22.91 25.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 75.3 112.519 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.802 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -118.81 96.85 5.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 41.13 111.095 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.8 p -98.45 -28.55 13.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 65.44 111.187 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -118.21 -16.24 9.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.087 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.802 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 75.12 111.095 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.8 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.835 0.35 . . . . 70.12 111.139 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -77.65 -3.95 43.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 62.42 110.905 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -108.95 -32.84 7.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.135 -0.484 . . . . 70.3 110.931 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.8 mp -75.09 -30.98 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 75.4 111.118 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -19.5 63.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 75.31 111.084 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -89.24 -66.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 61.24 110.842 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -56.75 -63.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 45.25 110.873 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -76.93 -71.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.898 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.49 39.27 94.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 61.25 112.468 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.3 mt -75.28 -23.91 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.824 0.345 . . . . 61.41 111.09 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -111.2 70.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.853 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.1 tp -79.18 112.74 16.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 62.13 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.11 78.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.25 111.094 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.8 t -95.89 26.61 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 64.44 111.156 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.54 -84.11 1.76 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.691 -0.766 . . . . 60.02 112.483 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -106.36 -30.22 9.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 63.24 111.157 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.89 -25.96 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 55.2 111.127 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -57.35 -53.06 62.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 70.42 110.895 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -56.83 -25.18 55.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 52.25 110.879 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -83.58 -44.62 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.54 110.949 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' HA ' HG22 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -59.2 -19.78 48.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.12 110.917 179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -89.64 9.58 26.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 63.12 110.831 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.91 -46.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.113 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.502 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 34.4 m -59.14 -33.83 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 54.15 111.119 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.28 -21.84 50.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 53.51 111.075 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -103.82 -25.48 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.3 110.844 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.96 71.76 0.15 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.741 -0.742 . . . . 72.4 112.472 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.502 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -70.78 82.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 74.32 111.123 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -116.62 -3.61 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.877 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.61 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -56.63 144.17 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.898 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.55 -19.84 3.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 61.03 112.459 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -108.31 -38.16 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 61.03 111.147 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.61 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -77.01 -24.7 52.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.33 111.135 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.458 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.8 t80 -80.62 -33.83 35.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 74.33 110.883 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.569 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -77.47 -22.44 51.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.35 111.104 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.97 -15.84 56.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 44.23 111.116 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.458 HD11 ' CD1' ' A' ' 34' ' ' PHE . 30.1 pt -104.77 -29.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 51.43 111.124 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.667 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -95.59 17.57 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.902 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.72 -12.05 17.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 54.54 112.459 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.571 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -78.25 -31.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 75.1 111.166 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.699 HG23 HD12 ' A' ' 42' ' ' LEU . 2.4 t -137.56 -41.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 54.34 111.141 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.699 HD12 HG23 ' A' ' 41' ' ' THR . 2.0 mp -75.13 160.46 80.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.716 . . . . 71.34 110.91 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.7 Cg_endo -69.84 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.642 2.228 . . . . 75.14 112.35 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.05 -30.47 10.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 62.3 111.089 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -67.58 -29.76 69.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 73.52 110.9 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.431 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.87 -29.8 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 72.1 111.149 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' A' ' 35' ' ' ALA . 27.4 mt -63.0 -35.58 80.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 34.2 110.926 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.59 -25.5 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 32.2 111.141 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.32 -29.39 61.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.106 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.97 35.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 71.24 111.077 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.96 -61.25 7.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 62.33 112.515 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.83 161.7 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 70.33 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp 59.48 49.16 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.35 110.924 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.91 168.31 32.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 71.01 112.512 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.739 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -55.65 125.96 23.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 70.32 111.133 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -115.58 -30.02 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 63.3 111.173 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.83 -5.55 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 42.32 111.13 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.739 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 55.25 111.098 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.352 . . . . 72.34 111.114 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -77.46 -3.88 42.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 72.11 110.94 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -107.65 -32.89 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 74.05 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.9 mt -73.78 -40.29 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 73.31 111.147 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.9 -22.06 46.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 55.13 111.143 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -86.97 -68.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.89 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.01 -63.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.925 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -80.13 -70.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 64.32 110.894 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.453 ' O ' HD23 ' A' ' 12' ' ' LEU . . . 90.55 -67.06 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 70.53 112.484 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm 59.9 61.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.871 0.367 . . . . 72.42 111.143 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 51.56 31.07 7.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.888 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -52.28 140.06 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.51 110.928 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . -81.8 79.52 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 42.2 111.053 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -94.77 25.35 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 70.42 111.134 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.94 -69.63 1.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 52.23 112.474 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.8 m -101.84 -33.41 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.754 0.311 . . . . 44.11 111.086 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -60.04 -20.43 57.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 43.21 111.091 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -56.31 -52.52 64.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.893 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.2 -26.52 60.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 33.34 110.867 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.768 HD13 HD13 ' A' ' 37' ' ' ILE . 38.8 mt -80.74 -44.52 18.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 72.52 110.891 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.443 ' HA ' HG22 ' A' ' 24' ' ' VAL . 23.7 mt -69.27 -12.13 61.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.939 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -98.19 3.53 48.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.849 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.04 -38.27 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.057 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 20' ' ' LEU . 35.8 m -64.59 -33.9 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 60.11 111.091 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.19 -22.69 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 55.13 111.093 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -76.94 -38.99 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.44 110.911 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 163.7 82.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 53.12 112.496 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 24' ' ' VAL . . . -125.84 103.86 8.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 60.13 111.078 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.5 t -81.12 -0.76 41.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 65.25 110.859 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -51.25 146.01 7.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 54.05 110.914 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.16 -34.9 0.53 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.781 -0.723 . . . . 72.53 112.466 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.62 -48.21 11.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 74.04 111.138 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.03 69.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.42 111.163 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.658 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.2 t80 -73.52 -29.17 62.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.866 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.518 ' HA ' HD21 ' A' ' 47' ' ' LEU . . . -79.65 -22.76 43.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 64.51 111.123 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.9 -12.2 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 51.15 111.042 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.768 HD13 HD13 ' A' ' 20' ' ' LEU . 26.0 pt -106.95 -29.06 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 62.53 111.126 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.665 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.6 mp -96.59 17.65 15.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 64.31 110.885 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.81 -11.42 19.05 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 55.43 112.436 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG13 HG22 ' A' ' 41' ' ' THR . 5.2 p -78.78 -31.94 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 71.01 111.141 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.668 HG23 HD12 ' A' ' 42' ' ' LEU . 2.2 t -137.79 -41.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 44.33 111.111 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.668 HD12 HG23 ' A' ' 41' ' ' THR . 2.0 mp -74.94 160.48 80.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 74.41 110.904 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 74.25 112.324 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.26 -28.78 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 60.3 111.081 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -68.39 -29.67 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.24 110.882 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.18 -29.28 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.12 111.06 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' ' 35' ' ' ALA . 28.3 mt -64.73 -45.8 84.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 65.4 110.919 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.96 -34.7 64.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.22 111.111 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.43 -25.33 67.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 53.2 111.088 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.92 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.01 111.089 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.51 21.46 2.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 71.4 112.452 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.09 -75.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 70.1 111.052 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 mp -78.38 -71.59 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 65.12 110.888 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.37 38.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 71.04 112.489 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -93.33 115.33 27.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 75.41 111.116 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.0 t -115.24 -31.17 6.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 63.12 111.141 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.39 -15.52 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.084 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.703 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 64.24 111.131 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.0 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.818 0.342 . . . . 60.21 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -78.09 -4.0 45.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -109.7 -32.38 7.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.899 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.725 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -75.82 -32.54 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 75.44 111.158 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.32 -16.95 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 43.45 111.091 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.45 -68.57 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 64.45 110.881 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -54.37 -62.44 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.904 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -78.54 -71.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 72.14 110.869 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.77 80.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 72.21 112.469 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.6 mt -96.63 108.68 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 73.55 111.112 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 52.96 34.13 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 62.01 110.879 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.5 tp -54.11 134.22 44.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.929 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.83 78.53 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 64.22 111.091 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 t -95.22 24.67 4.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 74.11 111.13 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.28 -49.99 2.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 72.12 112.481 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -130.48 -40.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 74.13 111.156 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.22 -22.55 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 63.3 111.126 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -62.7 -48.05 80.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.846 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -59.99 -25.39 65.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.878 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.531 ' O ' HG22 ' A' ' 24' ' ' VAL . 35.1 mt -77.23 -44.62 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 73.44 110.906 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.427 ' HA ' HG22 ' A' ' 24' ' ' VAL . 29.0 mt -66.42 -14.1 61.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.55 110.945 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -96.45 9.02 42.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.876 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.57 -40.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 71.1 111.071 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 20' ' ' LEU . 35.2 m -64.86 -34.35 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 51.31 111.149 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.76 -24.16 33.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 53.43 111.062 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -75.65 -34.96 60.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 73.35 110.881 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 158.06 84.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 72.42 112.458 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.23 -41.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 65.31 111.144 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t 51.42 30.62 6.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 44.42 110.83 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.631 HD12 ' H ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -51.57 138.92 21.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 75.35 110.899 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.22 6.72 3.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 65.52 112.41 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.07 -38.16 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 64.21 111.111 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.631 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -87.03 -21.5 26.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 63.42 111.078 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.651 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.5 t80 -79.09 -31.18 44.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 65.41 110.844 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.584 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -78.1 -23.04 48.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 55.35 111.064 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.43 -13.38 56.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 41.43 111.114 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.651 HD11 ' CD1' ' A' ' 34' ' ' PHE . 33.6 pt -105.23 -28.96 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.31 111.128 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.678 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.3 mp -94.96 15.9 17.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.1 110.872 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.97 -13.39 18.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 74.22 112.524 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.599 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -75.65 -31.88 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 70.21 111.123 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.652 HG23 HD12 ' A' ' 42' ' ' LEU . 2.1 t -137.91 -41.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.12 111.169 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.678 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.9 mp -74.3 160.36 81.59 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.612 0.72 . . . . 74.42 110.942 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -170.78 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.762 2.308 . . . . 45.25 112.332 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.98 -33.3 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.04 111.07 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -63.87 -32.59 74.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 73.23 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.53 -27.77 27.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.073 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.584 HD13 ' CB ' ' A' ' 35' ' ' ALA . 14.6 mt -71.55 -36.77 71.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 75.54 110.922 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.18 -25.53 51.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 51.44 111.082 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.87 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.33 111.129 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.16 -37.19 74.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 63.35 111.087 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.73 -30.66 9.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 63.04 112.519 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.44 177.43 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 70.23 111.125 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 53' ' ' LEU . 1.3 pt? -105.99 43.83 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 74.34 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.04 -47.61 0.94 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.777 -0.725 . . . . 40.24 112.453 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -151.27 111.29 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 74.45 111.112 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 t -115.41 -26.72 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 50.54 111.114 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.41 -4.73 7.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 73.31 111.082 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.725 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 42.32 111.1 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.4 mm . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.848 0.356 . . . . 75.43 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -80.97 -1.5 43.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 65.1 110.903 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -111.62 -38.17 4.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 75.24 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -65.8 -37.67 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 72.34 111.122 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.38 -17.03 58.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 73.33 111.088 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -86.71 -74.49 0.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 65.12 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -52.38 -63.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 72.01 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -77.98 -70.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 64.14 110.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.96 75.43 1.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 43.24 112.464 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mm -81.74 150.04 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 72.11 111.147 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -76.28 69.68 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 74.51 110.853 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 147.17 30.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 65.13 110.955 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.538 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . -83.79 88.37 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 63.21 111.101 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.3 t -95.06 25.62 4.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.55 111.101 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.09 -49.38 1.25 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 24.35 112.514 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 m -115.7 -23.77 8.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.743 0.306 . . . . 70.45 111.156 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -88.66 -18.68 27.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 71.24 111.054 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -54.6 -37.76 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 74.24 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -64.39 -39.73 94.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.921 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.1 mt -71.0 -47.89 56.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 53.21 110.923 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 21' ' ' LEU . 3.2 tm? -59.13 -24.67 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 53.22 110.909 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -82.31 1.87 34.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 55.21 110.844 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.52 -50.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 75.21 111.061 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.528 HG22 ' HA ' ' A' ' 21' ' ' LEU . 13.5 m -58.22 -28.08 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 74.15 111.084 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.28 -3.23 38.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.052 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -113.7 -20.43 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 53.13 110.839 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.83 -39.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 45.12 112.454 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . 57.39 58.61 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 72.41 111.094 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 p -98.92 -46.98 5.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.836 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.52 148.79 4.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 72.44 110.893 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.81 -35.49 0.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.68 -0.771 . . . . 43.24 112.427 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -85.12 -46.55 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 72.12 111.133 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.87 -34.43 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 53.32 111.136 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.628 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.7 t80 -76.64 -31.24 57.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 61.41 110.915 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.678 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -77.34 -24.43 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 41.3 111.084 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.9 -18.08 51.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 55.35 111.11 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.628 HD11 ' CD1' ' A' ' 34' ' ' PHE . 40.9 pt -100.2 -27.64 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 74.54 111.083 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.683 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.1 mp -92.97 14.43 17.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.915 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.33 -14.74 17.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 61.13 112.502 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG13 HG22 ' A' ' 41' ' ' THR . 4.9 p -73.08 -31.68 36.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.911 0.386 . . . . 73.43 111.101 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.639 HG23 HD12 ' A' ' 42' ' ' LEU . 2.4 t -138.64 -41.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.23 111.111 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.683 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.6 mp -73.67 160.52 81.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 73.33 110.917 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -170.51 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.634 2.223 . . . . 74.5 112.364 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.36 -28.21 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 71.33 111.127 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -67.76 -31.67 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.947 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.41 -24.45 44.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 54.12 111.111 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.678 HD13 ' CB ' ' A' ' 35' ' ' ALA . 11.6 mt -74.15 -36.71 64.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 62.33 110.946 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.18 -25.27 55.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 73.34 111.124 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.15 63.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 62.51 111.08 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.46 -30.8 67.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 62.22 111.084 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.82 -43.66 60.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 74.32 112.524 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.77 -48.83 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.868 0.365 . . . . 74.22 111.096 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -145.13 112.01 5.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 71.32 110.872 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.52 -178.13 4.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 71.33 112.49 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.09 102.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 52.12 111.157 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -76.95 62.1 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 55.23 111.166 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.33 25.0 13.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 72.32 111.128 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.723 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 44.24 111.117 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.481 HD11 HD21 ' A' ' 42' ' ' LEU . 41.3 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.879 0.371 . . . . 61.43 111.166 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.648 ' OH ' HD22 ' A' ' 21' ' ' LEU . 59.1 m-85 -78.89 -3.24 43.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.881 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -109.92 -34.44 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.704 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -72.32 -34.74 50.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 63.11 111.15 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.5 -18.53 65.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 74.2 111.09 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.55 -72.04 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.3 110.883 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -52.26 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.956 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -77.41 -66.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.912 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.52 67.47 2.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 73.41 112.495 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.611 HG22 ' H ' ' A' ' 12' ' ' LEU . 45.8 mm -51.7 136.62 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 72.12 111.131 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -51.83 -37.29 51.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.89 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.611 ' H ' HG22 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -52.39 -67.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 61.12 110.906 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.51 54.02 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 64.51 111.134 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -92.2 36.34 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 71.22 111.157 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.25 44.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 62.32 112.504 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 m -129.0 -55.78 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 53.11 111.179 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.62 -25.39 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 61.21 111.097 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -56.71 -51.29 69.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.873 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -56.56 -24.9 50.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.906 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.535 ' CD1' HD13 ' A' ' 37' ' ' ILE . 40.6 mt -84.67 -46.88 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 72.51 110.936 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.648 HD22 ' OH ' ' A' ' 2' ' ' TYR . 52.5 mt -67.75 -15.82 63.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 71.25 110.908 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -96.68 9.38 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.846 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.83 -39.91 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 73.23 111.105 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 20' ' ' LEU . 34.2 m -62.37 -34.24 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 73.43 111.121 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -23.59 50.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 55.12 111.157 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -123.12 23.01 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 55.15 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.99 63.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 51.25 112.449 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -70.37 82.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 54.12 111.101 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.7 m -92.74 -6.1 49.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.828 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.793 HD11 ' HB3' ' A' ' 33' ' ' ALA . 1.5 mm? -57.2 -179.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 61.5 110.901 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.37 -22.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 60.22 112.482 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.6 m -113.7 -32.95 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.787 0.327 . . . . 42.33 111.143 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.793 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -90.35 -25.48 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 53.52 111.09 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.9 t80 -63.95 -30.0 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.882 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.56 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -77.5 -24.11 50.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 52.33 111.143 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.56 -16.86 55.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 74.42 111.132 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.535 HD13 ' CD1' ' A' ' 20' ' ' LEU . 36.4 pt -102.36 -28.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.35 111.136 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.664 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -98.02 17.62 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 65.34 110.937 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.39 -12.53 19.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 71.14 112.521 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.599 HG13 HG22 ' A' ' 41' ' ' THR . 5.2 p -75.58 -31.61 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.403 . . . . 64.24 111.134 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 HD12 ' A' ' 42' ' ' LEU . 2.5 t -139.21 -41.39 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 64.13 111.136 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.679 HD12 HG23 ' A' ' 41' ' ' THR . 1.9 mp -73.89 160.4 81.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 73.4 110.891 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.74 -170.91 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.713 2.275 . . . . 72.13 112.356 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.54 -28.64 11.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 71.43 111.094 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.1 p-90 -69.3 -29.64 67.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 54.3 110.932 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.73 -29.86 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 71.31 111.084 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 35' ' ' ALA . 24.7 mt -61.65 -39.68 92.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 65.13 110.932 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.98 -28.71 70.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 45.22 111.101 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.85 -24.33 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 70.33 111.115 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.74 -30.23 21.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 63.41 111.096 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.84 24.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 63.31 112.479 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.8 -178.26 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 71.04 111.142 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -51.87 121.72 7.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 75.25 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.09 -73.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 73.02 112.493 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.57 101.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 63.51 111.101 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.02 62.34 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 64.41 111.125 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.27 26.89 13.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.43 111.114 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.704 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.53 111.064 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.796 0.331 . . . . 65.13 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -81.39 -1.48 45.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.02 110.93 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -111.43 -37.83 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 64.43 110.89 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.5 mp -64.49 -37.62 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 54.51 111.139 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.43 -18.86 53.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.22 111.117 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -85.46 -71.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.845 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -56.72 -63.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.91 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -75.56 -71.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.847 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.83 85.94 1.78 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 75.24 112.473 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.9 mt -95.66 147.27 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 74.45 111.17 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -98.39 40.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 63.42 110.848 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.728 HD11 HG21 ' A' ' 41' ' ' THR . 0.2 OUTLIER -66.74 -69.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.5 110.873 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.41 59.11 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 72.01 111.135 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.6 t -58.72 -18.23 29.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 71.33 111.157 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.99 -54.61 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 53.1 112.491 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.4 m -51.79 -70.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 52.11 111.153 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.57 -45.28 63.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 31.43 111.095 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -45.87 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.867 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -61.13 -24.28 66.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.905 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.589 HD13 HD13 ' A' ' 37' ' ' ILE . 19.2 mt -86.39 -49.75 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 61.43 110.929 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -20.29 56.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 62.52 110.871 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -99.69 -0.97 39.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 62.02 110.9 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.82 -16.25 9.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 75.43 111.102 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 20' ' ' LEU . 28.5 m -88.47 -31.35 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 65.22 111.101 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.69 -24.77 36.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.122 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -74.24 -25.93 59.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.874 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.59 83.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 51.21 112.496 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.98 114.98 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 73.03 111.069 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 m -112.95 27.78 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 41.23 110.855 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -51.71 144.4 11.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 51.42 110.92 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.43 -25.51 2.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.76 . . . . 52.22 112.467 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -96.69 -43.33 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 74.53 111.157 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.41 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -63.81 -35.18 79.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 44.34 111.158 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.676 ' CD1' HD11 ' A' ' 37' ' ' ILE . 5.3 t80 -66.37 -28.1 68.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 73.43 110.899 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.601 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -78.76 -21.35 48.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 60.44 111.144 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.45 -15.19 58.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 54.44 111.069 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.676 HD11 ' CD1' ' A' ' 34' ' ' PHE . 27.9 pt -105.36 -28.32 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 63.54 111.137 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.678 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.3 mp -98.12 13.89 29.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 71.02 110.897 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -106.9 -13.83 20.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 63.21 112.538 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.615 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -73.35 -30.19 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.363 . . . . 64.13 111.092 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.728 HG21 HD11 ' A' ' 12' ' ' LEU . 2.2 t -141.38 -41.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.32 111.154 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.678 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.7 mp -72.36 160.37 82.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 72.45 110.906 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -170.8 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 73.34 112.336 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.96 -27.39 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 71.12 111.12 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -68.49 -30.27 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 71.13 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.62 42.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.077 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 35' ' ' ALA . 12.6 mt -74.24 -39.2 63.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 55.22 110.877 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.28 -24.59 59.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.14 111.105 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.68 -23.99 61.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 70.34 111.111 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.93 -25.3 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 73.04 111.113 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.65 -20.77 18.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 65.51 112.479 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.8 -75.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 55.02 111.114 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.0 mt -132.3 77.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 64.3 110.916 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.63 177.28 7.9 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 65.52 112.533 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.52 102.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 71.41 111.113 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.0 62.14 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 74.34 111.159 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.21 25.02 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 65.2 111.126 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.709 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.01 111.117 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.833 0.349 . . . . 65.43 111.135 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -77.56 -4.3 45.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.903 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -108.51 -33.73 6.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.947 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -73.23 -39.76 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 73.02 111.132 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.777 ' HB1' HD22 ' A' ' 12' ' ' LEU . . . -60.08 -20.36 57.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 74.1 111.101 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -88.04 -70.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.897 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -52.34 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.893 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -80.17 -70.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 62.02 110.855 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.545 ' C ' HD12 ' A' ' 10' ' ' ILE . . . 90.0 -50.93 3.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 73.45 112.555 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.545 HD12 ' C ' ' A' ' 9' ' ' GLY . 3.2 mp 54.64 56.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 73.34 111.113 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.3 m80 51.64 35.01 13.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.876 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.777 HD22 ' HB1' ' A' ' 5' ' ' ALA . 20.7 tp -54.69 131.69 44.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.31 110.884 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.06 77.51 10.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 42.42 111.073 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -94.82 25.05 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 71.32 111.175 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.07 -35.02 25.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 75.21 112.437 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.6 m -116.6 -23.42 8.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 74.24 111.14 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.02 -22.54 50.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 63.51 111.097 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -53.96 -38.1 64.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.925 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -25.07 64.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 72.15 110.9 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.523 HD13 HD13 ' A' ' 37' ' ' ILE . 13.9 mt -85.37 -51.5 6.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 54.43 110.925 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.453 ' HA ' HG22 ' A' ' 24' ' ' VAL . 43.7 mt -59.47 -20.7 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 71.51 110.898 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -90.89 9.97 28.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 63.12 110.867 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.41 -40.31 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 73.01 111.105 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.66 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 22.1 m -60.37 -31.32 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 61.13 111.129 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.85 -23.72 66.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 65.24 111.151 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.4 t -101.2 -25.74 13.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 51.45 110.849 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.95 78.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.717 . . . . 61.25 112.53 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.66 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -70.79 82.46 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 63.03 111.082 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 m -92.02 -35.08 14.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.838 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -51.67 145.84 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 75.24 110.9 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.17 -33.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.76 . . . . 71.34 112.463 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -86.68 -49.58 7.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.748 0.309 . . . . 63.42 111.148 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.09 -39.04 65.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 72.13 111.07 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -69.63 -28.87 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.919 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.13 -21.04 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 44.43 111.069 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.04 -17.76 49.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 53.11 111.136 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.523 HD13 HD13 ' A' ' 20' ' ' LEU . 5.8 pt -103.36 -22.26 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.129 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.655 ' CD2' HD22 ' A' ' 42' ' ' LEU . 5.3 mp -105.41 -16.19 14.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 75.35 110.885 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.55 3.39 85.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 64.12 112.5 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -99.88 -36.29 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 75.22 111.158 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.586 HG23 HD12 ' A' ' 42' ' ' LEU . 4.5 t -129.06 -42.0 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 72.01 111.196 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.655 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.7 mp -72.88 163.41 68.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.633 0.73 . . . . 70.44 110.909 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.1 Cg_endo -69.81 -172.8 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 71.33 112.295 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.0 -38.02 9.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 71.04 111.095 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -59.66 -30.65 68.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.934 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.97 -42.44 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.094 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.3 mt -58.33 -31.7 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 55.31 110.917 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.51 -35.41 30.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 71.41 111.127 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.23 -26.28 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.2 111.098 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.39 -30.37 39.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 52.33 111.1 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.41 39.73 1.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 63.22 112.442 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.91 167.69 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 71.15 111.112 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.516 HD13 ' N ' ' A' ' 54' ' ' GLY . 0.3 OUTLIER -60.5 126.61 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.54 110.931 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.516 ' N ' HD13 ' A' ' 53' ' ' LEU . . . 158.74 -153.48 24.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 54.12 112.466 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.2 120.71 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 73.12 111.118 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 t -121.12 -36.24 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.52 111.131 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.44 -7.78 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 72.33 111.122 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 64.03 111.128 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.4 mm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.866 0.365 . . . . 75.23 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -77.87 -5.54 51.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 72.54 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -109.19 -32.69 7.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -75.82 -31.95 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 72.12 111.114 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.1 -17.49 64.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.34 111.115 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -92.68 -63.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.11 110.859 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -59.36 -63.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 65.04 110.897 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -77.81 -71.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 71.13 110.906 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.37 83.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 73.12 112.5 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mt -92.96 62.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 75.14 111.121 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 51.38 31.09 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 52.13 110.856 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -61.98 -17.78 58.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 72.42 110.927 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.6 57.93 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.126 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.736 HG23 ' H ' ' A' ' 16' ' ' THR . 7.1 t -63.91 -13.19 43.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 74.2 111.142 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.82 -13.87 66.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 73.41 112.498 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.736 ' H ' HG23 ' A' ' 14' ' ' THR . 87.4 m -99.03 -21.13 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 71.33 111.135 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.03 -22.03 23.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 61.22 111.123 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.83 -35.31 44.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.879 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -70.49 -39.79 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.917 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.95 -47.78 76.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 65.14 110.908 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' HA ' HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -58.43 -23.18 56.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 60.01 110.945 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -91.05 13.57 16.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 72.3 110.857 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.97 -40.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 50.42 111.106 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.613 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 22.4 m -64.7 -32.25 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 55.44 111.118 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -16.94 58.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 65.04 111.101 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -120.68 13.89 11.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 52.24 110.829 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.98 78.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 52.22 112.475 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.613 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -71.75 82.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 65.53 111.092 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.49 -39.08 12.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 74.34 110.87 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.59 144.44 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 44.21 110.936 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.7 -33.39 0.61 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 52.35 112.503 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.01 -48.47 9.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 75.41 111.143 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.9 85.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 60.0 111.102 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.9 t80 -66.57 -30.8 71.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.886 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.51 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -79.56 -22.89 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 71.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -17.14 51.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 65.15 111.114 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.477 HG13 HD12 ' A' ' 38' ' ' LEU . 27.3 pt -101.96 -25.64 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 63.41 111.111 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.671 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -96.72 15.95 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 73.03 110.903 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.78 -12.14 19.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 62.13 112.464 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.572 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -78.26 -32.07 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 74.3 111.109 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.667 HG23 HD12 ' A' ' 42' ' ' LEU . 2.4 t -137.18 -40.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 74.01 111.186 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.671 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.8 mp -75.01 160.54 80.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 74.33 110.907 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -170.87 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 73.31 112.307 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.22 -29.62 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 54.34 111.089 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -66.68 -31.39 72.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.903 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.11 -29.51 22.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 74.3 111.09 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.51 HD13 ' CB ' ' A' ' 35' ' ' ALA . 17.5 mt -67.96 -38.12 82.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.898 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.96 -26.34 66.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 64.33 111.098 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.19 -26.72 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.134 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.39 -25.8 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.18 19.63 48.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 71.45 112.487 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.94 -65.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 72.32 111.067 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.9 -70.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 63.03 110.927 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.43 143.21 4.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 53.44 112.493 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.86 101.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 70.34 111.084 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 t -77.01 62.49 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 70.22 111.114 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.09 27.17 14.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.14 111.094 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.729 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 54.14 111.094 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 38.2 mm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.779 0.323 . . . . 51.41 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -78.47 -3.66 44.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 71.2 110.911 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -108.39 -31.97 7.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 63.31 110.966 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.73 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -74.86 -32.78 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.12 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.83 -19.43 64.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 62.2 111.129 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -87.17 -65.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.874 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -59.06 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 72.55 110.916 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -75.83 -64.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 63.54 110.921 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.37 86.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 73.42 112.512 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.23 107.73 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 74.14 111.172 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.22 105.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 62.1 110.865 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.9 tp -140.08 -75.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 70.51 110.883 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 51.97 67.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 71.54 111.058 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 16' ' ' THR . 6.9 t -72.07 -9.39 58.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 71.13 111.131 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.23 -14.65 63.09 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.686 -0.768 . . . . 74.31 112.504 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.694 ' H ' HG23 ' A' ' 14' ' ' THR . 89.3 m -105.4 -21.13 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 63.23 111.105 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.61 -48.61 18.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.34 111.102 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -53.92 -27.42 30.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.922 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -68.01 -32.04 72.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.54 110.906 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.45 HD12 HD13 ' A' ' 37' ' ' ILE . 27.1 mt -70.41 -47.07 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 64.34 110.91 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.419 ' HA ' HG22 ' A' ' 24' ' ' VAL . 5.0 mt -59.6 -19.27 47.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 70.53 110.885 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -93.66 12.83 24.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.855 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.24 -41.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 74.31 111.137 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 28.4 m -63.02 -32.2 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.22 111.117 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.77 -15.83 59.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 71.41 111.114 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m -126.74 17.74 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.19 65.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 55.41 112.529 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.512 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -71.67 82.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 41.31 111.128 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 t -106.01 -35.3 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.847 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.17 143.13 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 63.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.79 -35.01 0.46 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 53.1 112.477 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -79.46 -52.61 7.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 74.21 111.093 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.01 -34.97 61.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 63.41 111.121 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.577 ' CD1' HD11 ' A' ' 37' ' ' ILE . 5.4 t80 -70.98 -28.35 64.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 54.32 110.884 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.797 ' HB1' HD13 ' A' ' 47' ' ' LEU . . . -79.24 -22.08 45.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 75.21 111.074 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.14 -16.74 52.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 53.14 111.092 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 34' ' ' PHE . 17.1 pt -100.61 -22.35 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 75.45 111.095 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.657 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.6 mp -97.55 14.37 26.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 72.55 110.904 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.54 -14.43 17.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 61.44 112.491 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.6 HG13 HG22 ' A' ' 41' ' ' THR . 4.8 p -74.13 -31.94 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.925 0.393 . . . . 71.52 111.133 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.666 HG23 HD12 ' A' ' 42' ' ' LEU . 2.2 t -137.36 -41.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.52 111.137 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.666 HD12 HG23 ' A' ' 41' ' ' THR . 2.0 mp -74.68 160.46 80.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 65.33 110.934 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -170.8 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 74.31 112.341 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.66 -30.63 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.106 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -65.26 -31.68 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.83 -26.65 58.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.35 111.1 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.797 HD13 ' HB1' ' A' ' 35' ' ' ALA . 11.2 mt -72.67 -34.82 67.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.936 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.81 -28.44 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.5 111.132 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.69 -25.33 59.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.33 111.082 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.6 -26.64 27.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 72.21 111.125 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.64 -58.65 11.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 71.35 112.491 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.83 -55.6 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 75.42 111.072 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.25 144.23 31.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 63.02 110.958 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.86 139.75 20.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.77 -0.729 . . . . 30.45 112.453 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.61 101.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 73.34 111.103 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.01 62.15 2.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 64.14 111.167 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.29 26.32 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 52.54 111.094 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.73 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 65.23 111.111 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.873 0.368 . . . . 71.24 111.119 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.3 -4.45 45.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.929 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -106.2 -31.99 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 62.24 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.9 mt -72.24 -39.43 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 72.43 111.092 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.15 -16.54 60.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 64.03 111.087 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -88.11 -61.61 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 65.54 110.886 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -67.25 -64.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -71.88 -61.68 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.835 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.28 73.35 0.51 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 54.23 112.504 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.1 mm -66.36 151.58 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 65.31 111.134 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -52.08 -28.8 18.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 71.24 110.836 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.2 -46.67 62.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 62.43 110.929 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.33 56.26 1.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 45.13 111.12 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.6 t -93.14 35.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 71.24 111.178 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.39 -45.16 1.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 71.5 112.485 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 m -54.08 -62.5 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 33.33 111.136 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -33.49 73.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 111.096 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -56.87 -51.6 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.85 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -62.88 -26.81 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.917 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.553 HD13 HD13 ' A' ' 37' ' ' ILE . 35.5 mt -75.29 -44.47 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.881 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HA ' HG22 ' A' ' 24' ' ' VAL . 34.5 mt -69.09 -13.62 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 75.45 110.889 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -97.63 8.2 45.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 71.11 110.852 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.09 -39.59 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 74.2 111.104 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 20' ' ' LEU . 35.5 m -64.18 -33.51 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 35.54 111.143 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -22.02 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 63.24 111.114 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -77.77 -39.27 44.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 70.41 110.87 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.12 82.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.474 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.444 ' HB2' ' HA ' ' A' ' 24' ' ' VAL . . . -127.92 105.17 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 63.1 111.073 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -86.09 4.37 38.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.861 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -51.52 143.75 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.948 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.55 -33.73 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 73.01 112.479 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -83.87 -49.6 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 73.13 111.121 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.42 -36.74 66.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 61.45 111.074 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.4 t80 -75.9 -29.79 58.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 72.41 110.863 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.594 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -78.75 -22.45 46.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 71.44 111.075 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.8 -16.15 56.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 54.33 111.116 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.56 HD11 ' CD1' ' A' ' 34' ' ' PHE . 33.4 pt -104.36 -29.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 75.15 111.167 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.637 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.8 mp -98.24 17.98 17.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.885 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.75 -10.17 23.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 63.43 112.462 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.595 HG13 HG22 ' A' ' 41' ' ' THR . 5.3 p -78.34 -31.21 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 63.32 111.153 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.653 HG23 HD12 ' A' ' 42' ' ' LEU . 2.5 t -139.91 -41.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 45.14 111.169 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.653 HD12 HG23 ' A' ' 41' ' ' THR . 1.9 mp -73.72 160.58 81.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.631 0.729 . . . . 73.32 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -170.8 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.653 2.235 . . . . 75.51 112.329 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.8 -29.79 10.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 52.24 111.135 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -67.76 -33.16 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.949 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.98 -25.18 42.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 65.5 111.098 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 35' ' ' ALA . 14.3 mt -71.41 -36.58 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 72.22 110.915 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.73 -25.35 41.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 30.42 111.091 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.88 -37.24 62.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 44.32 111.135 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.84 24.1 5.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 42.22 111.118 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.26 -39.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.65 -0.786 . . . . 64.45 112.449 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.18 -53.06 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 52.11 111.071 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.9 tp -169.69 135.34 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.96 -143.24 10.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 72.53 112.544 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -53.57 110.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 73.44 111.14 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 t -116.44 -25.0 7.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 72.55 111.178 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.09 -14.64 9.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 64.44 111.142 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.69 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 61.11 111.098 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.5 mm . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.87 0.367 . . . . 65.33 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -80.05 -2.2 43.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 72.14 110.942 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -111.04 -35.04 6.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 71.25 110.926 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -71.0 -37.99 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.22 111.147 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.97 -19.25 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 60.4 111.113 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -87.66 -69.06 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.834 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -56.62 -62.96 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 51.21 110.938 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.411 ' CD1' HG23 ' A' ' 4' ' ' ILE . 52.5 m-85 -77.13 -71.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.834 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.51 92.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 70.14 112.486 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.07 80.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 53.42 111.112 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.4 m170 58.93 25.5 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 75.14 110.827 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.504 HD22 ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -53.07 141.74 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.911 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.428 ' H ' HD13 ' A' ' 12' ' ' LEU . . . -85.35 76.42 10.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 74.31 111.069 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 t -94.91 31.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 72.22 111.112 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.21 -34.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 75.2 112.479 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -104.13 -66.95 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 74.41 111.15 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.92 -22.99 28.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 74.34 111.158 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.03 -35.25 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.864 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -33.64 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.918 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.699 HD13 HD13 ' A' ' 37' ' ' ILE . 26.5 mt -64.79 -43.37 93.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 74.03 110.893 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.35 -13.6 60.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.13 110.912 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -102.69 -2.27 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 54.42 110.819 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -118.61 -26.97 6.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.079 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 20' ' ' LEU . 29.3 m -77.17 -31.36 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 45.12 111.18 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.05 -22.88 42.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.34 111.051 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -74.92 -33.62 62.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 52.42 110.84 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.93 78.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 65.5 112.5 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.42 115.48 6.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 63.25 111.099 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.7 p -117.27 37.8 3.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 60.53 110.852 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.606 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -52.09 143.57 13.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 64.35 110.909 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.13 -18.74 4.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.781 -0.723 . . . . 41.44 112.493 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.5 m -107.85 -41.59 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 73.35 111.108 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.606 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -78.18 -29.39 48.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 51.5 111.112 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.706 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.1 t80 -72.3 -25.7 61.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.886 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.0 -20.35 45.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 72.4 111.141 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.48 -16.68 51.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 62.34 111.107 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.706 HD11 ' CD1' ' A' ' 34' ' ' PHE . 11.0 pt -105.28 -23.94 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 61.43 111.113 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.659 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.8 mp -102.27 -18.54 15.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 70.12 110.925 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.68 3.27 87.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.732 . . . . 61.1 112.485 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -98.59 -35.65 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.391 . . . . 64.22 111.112 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.612 HG23 HD12 ' A' ' 42' ' ' LEU . 4.9 t -131.39 -41.73 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 50.33 111.107 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.659 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.7 mp -72.25 163.41 67.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 73.13 110.898 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.577 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.9 Cg_endo -69.77 -173.15 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.622 2.215 . . . . 55.21 112.334 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.48 -47.7 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 75.12 111.105 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -53.59 -32.47 51.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 65.4 110.924 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.577 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -52.0 -40.37 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 70.11 111.041 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.1 mt -52.24 -42.31 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.26 -0.427 . . . . 75.51 110.918 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.32 -25.1 61.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 54.21 111.097 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.41 -24.43 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 54.24 111.121 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.69 -42.4 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.42 111.08 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.28 -79.13 0.46 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.742 . . . . 75.43 112.534 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.39 155.07 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 63.21 111.098 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.432 HD23 ' H ' ' A' ' 53' ' ' LEU . 1.7 pt? -51.92 143.07 14.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.902 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.81 -79.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 50.41 112.507 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.39 100.38 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 61.4 111.094 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -77.02 63.23 2.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.093 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.24 25.44 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 53.22 111.108 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 41.03 111.073 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 39.0 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.879 0.371 . . . . 61.43 111.15 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.448 ' CZ ' HD22 ' A' ' 21' ' ' LEU . 64.1 m-85 -80.89 -2.77 48.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.925 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -112.97 -40.71 3.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 52.21 110.909 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -65.88 -38.54 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 74.45 111.09 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.06 62.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.084 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -86.53 -73.56 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 75.44 110.867 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -51.5 -62.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.858 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -77.79 -63.12 1.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 72.31 110.863 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.3 74.32 0.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 74.4 112.531 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.2 mm -66.19 149.94 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 73.34 111.131 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -77.93 59.23 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.799 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 13' ' ' ALA . 20.9 tp -107.39 148.29 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 54.23 110.912 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.554 ' H ' HD12 ' A' ' 12' ' ' LEU . . . -76.67 64.18 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 71.14 111.115 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -93.66 20.18 7.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 61.41 111.144 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.56 -29.38 73.94 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 52.02 112.44 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.4 m -72.17 -45.38 60.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 73.31 111.141 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.63 -22.1 63.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 75.31 111.102 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -46.82 65.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.906 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -60.49 -26.0 66.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.919 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.803 HD13 HD13 ' A' ' 37' ' ' ILE . 40.4 mt -84.56 -44.9 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.893 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HA ' HG22 ' A' ' 24' ' ' VAL . 42.5 mt -59.47 -19.76 50.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 74.03 110.886 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -87.93 7.48 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.876 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.12 -47.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.31 111.097 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 21' ' ' LEU . 31.4 m -60.44 -32.79 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 73.45 111.127 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.25 -20.72 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.42 111.104 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -108.82 6.17 25.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 70.21 110.868 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.12 -73.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 42.15 112.465 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.24 63.58 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 53.21 111.086 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -110.35 -34.85 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 72.24 110.867 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.535 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -52.03 144.71 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 74.12 110.917 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.32 -22.84 3.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 42.2 112.476 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -102.11 -39.21 7.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.796 0.331 . . . . 63.41 111.168 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.535 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -72.14 -27.43 62.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 63.1 111.139 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.636 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.3 t80 -81.57 -30.37 33.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.889 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.573 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -78.79 -24.37 44.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 73.41 111.088 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.7 -15.83 55.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 60.42 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.803 HD13 HD13 ' A' ' 20' ' ' LEU . 35.8 pt -102.2 -26.3 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.082 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.682 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.3 mp -96.46 16.32 18.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 72.43 110.938 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.89 -13.51 17.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.782 -0.723 . . . . 63.14 112.517 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.582 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -75.21 -31.92 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 70.21 111.154 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.661 HG23 HD12 ' A' ' 42' ' ' LEU . 2.4 t -137.83 -41.01 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 74.24 111.131 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.682 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.9 mp -74.69 160.24 81.39 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.608 0.718 . . . . 74.5 110.844 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 54.2 Cg_endo -69.73 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 74.34 112.375 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.63 -28.53 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 75.35 111.132 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -69.86 -33.74 72.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.927 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.402 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.54 -30.18 19.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 63.23 111.113 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.573 HD13 ' CB ' ' A' ' 35' ' ' ALA . 20.5 mt -62.19 -39.77 93.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.931 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.87 -24.73 52.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 73.24 111.121 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.67 -22.6 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 72.25 111.066 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.17 -29.58 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 45.12 111.056 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.17 -24.89 42.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 75.41 112.478 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.74 -73.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 41.51 111.138 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.07 -41.76 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 71.14 110.913 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.96 -174.44 43.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 75.44 112.479 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -54.67 -30.95 56.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 63.13 111.078 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' ALA . 10.3 t 36.81 44.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.04 111.143 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.63 57.68 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 71.11 111.078 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.728 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 62.33 111.135 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.3 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.819 0.343 . . . . 64.31 111.127 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -78.64 -3.94 46.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -109.22 -33.94 6.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.502 . . . . 61.05 110.93 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.707 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -71.13 -39.28 73.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 62.4 111.102 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.61 -21.75 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 60.34 111.077 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.73 -71.02 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 64.22 110.844 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -53.77 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 72.54 110.922 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -79.32 -71.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 70.41 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.24 66.14 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 73.31 112.511 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -71.58 142.53 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 73.11 111.123 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -75.9 68.5 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 74.01 110.839 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.464 HD13 ' H ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -61.23 148.41 41.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 71.42 110.892 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.464 ' H ' HD13 ' A' ' 12' ' ' LEU . . . -75.65 79.92 2.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 71.12 111.048 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -67.4 -21.6 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 51.03 111.12 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.02 -33.01 36.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 72.34 112.513 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.6 m -118.21 -34.52 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 74.13 111.177 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.647 ' HA ' HD12 ' A' ' 20' ' ' LEU . . . -56.53 -24.39 46.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 62.3 111.139 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -52.12 -48.15 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.898 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -25.31 61.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 54.24 110.844 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.716 HD13 HD13 ' A' ' 37' ' ' ILE . 32.0 mt -72.68 -45.45 58.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 75.1 110.909 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.423 ' HA ' HG22 ' A' ' 24' ' ' VAL . 6.6 mt -59.21 -19.65 47.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.912 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.45 13.23 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.01 110.858 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.7 -41.16 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 42.22 111.115 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.638 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 33.7 m -64.25 -33.38 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 65.23 111.106 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.82 -22.27 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.31 111.133 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -99.82 -28.58 13.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.882 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.23 78.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 43.2 112.494 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.638 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -72.03 83.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 72.24 111.137 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 p -128.34 12.02 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.891 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.585 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -61.2 144.04 54.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 54.45 110.924 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.42 -21.2 3.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 52.14 112.459 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -107.08 -41.72 5.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 64.1 111.164 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.585 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -74.55 -24.58 58.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.4 111.088 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -84.46 -26.45 28.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.21 110.879 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.3 -21.25 33.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 73.22 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.87 -5.73 58.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 55.54 111.09 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.716 HD13 HD13 ' A' ' 20' ' ' LEU . 13.4 pt -115.94 -26.25 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 70.14 111.12 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.632 ' HG ' HD22 ' A' ' 42' ' ' LEU . 8.5 mp -107.91 -12.75 15.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 71.14 110.896 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.49 6.09 80.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 54.45 112.44 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.3 -37.98 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 75.31 111.152 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.628 HG23 HD12 ' A' ' 42' ' ' LEU . 8.9 t -124.48 -36.76 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.5 111.175 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.632 HD22 ' HG ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -81.07 163.81 53.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 72.24 110.898 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.534 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.77 -179.52 2.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.626 2.217 . . . . 74.43 112.365 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.02 -43.46 11.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 73.13 111.077 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.0 p-90 -55.9 -31.49 62.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.945 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -52.37 -39.19 60.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 64.52 111.125 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.3 mt -69.04 -31.26 69.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 73.3 110.883 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.3 -26.07 51.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 63.14 111.133 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.61 -25.16 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 41.42 111.08 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.94 -25.28 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 72.55 111.075 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -78.28 -19.68 73.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 70.23 112.46 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.57 -65.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 73.22 111.12 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.3 mt -75.21 -41.88 56.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 45.12 110.964 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.99 174.96 20.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.74 . . . . 73.34 112.483 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.04 -25.61 61.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 65.15 111.075 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 6.1 p 51.55 29.08 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 73.12 111.135 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 56' ' ' THR . . . 66.67 35.97 4.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 64.3 111.09 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.707 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.01 111.081 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.7 mm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.817 0.341 . . . . 74.14 111.107 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.481 ' OH ' HD13 ' A' ' 21' ' ' LEU . 47.6 m-85 -78.74 -3.05 42.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 65.04 110.921 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -109.44 -33.16 6.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 75.43 110.959 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.8 mp -74.01 -37.63 47.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 73.3 111.193 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.66 -18.24 61.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 64.12 111.141 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -91.05 -60.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 71.33 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -62.97 -64.14 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 72.1 110.943 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.405 ' CD1' HG23 ' A' ' 4' ' ' ILE . 53.1 m-85 -77.09 -66.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 71.22 110.883 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.56 69.06 1.37 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 73.21 112.449 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -51.4 127.7 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 62.23 111.132 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -55.3 -43.8 75.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.816 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.504 HD12 ' H ' ' A' ' 13' ' ' ALA . 26.2 tp -51.83 149.63 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 73.03 110.959 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.504 ' H ' HD12 ' A' ' 12' ' ' LEU . . . -77.32 60.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.43 111.112 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -94.96 35.07 1.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 71.4 111.125 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.13 64.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 72.25 112.473 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.7 m -63.13 -20.61 65.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 62.42 111.121 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 37' ' ' ILE . . . -65.19 -24.13 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 71.44 111.102 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -52.24 -45.0 65.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 75.44 110.927 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -69.44 -23.57 63.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.32 110.876 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.6 ' O ' HG22 ' A' ' 24' ' ' VAL . 26.6 mt -80.12 -45.42 18.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.916 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD13 ' OH ' ' A' ' 2' ' ' TYR . 36.0 mt -65.95 -14.0 60.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 74.15 110.916 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -102.51 -3.05 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 62.02 110.877 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.66 -25.4 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.03 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 20' ' ' LEU . 28.5 m -77.47 -31.17 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 73.4 111.134 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.41 -23.47 38.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 44.22 111.146 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -73.41 -35.35 65.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 71.13 110.86 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 165.35 75.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.757 . . . . 73.13 112.483 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB3' ' CB ' ' A' ' 24' ' ' VAL . . . -151.52 118.75 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 52.14 111.081 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.9 m -89.09 49.32 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 53.35 110.848 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.745 HD11 ' HB3' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -53.73 145.11 16.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 71.24 110.889 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.21 -34.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 75.03 112.527 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -94.84 -23.61 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 63.42 111.144 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.745 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -92.39 -27.31 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 70.15 111.1 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -57.22 -25.69 59.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.881 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.75 -19.05 38.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.2 111.097 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.05 -9.51 59.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.065 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 17' ' ' ALA . 13.9 pt -109.55 -26.71 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 44.04 111.139 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.646 ' HG ' HD22 ' A' ' 42' ' ' LEU . 8.7 mp -107.81 -12.81 15.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 70.52 110.946 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.45 5.95 80.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 70.45 112.521 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.21 -37.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 61.02 111.103 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.626 HG23 HD12 ' A' ' 42' ' ' LEU . 8.5 t -124.42 -36.81 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.33 111.13 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.646 HD22 ' HG ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -81.05 163.77 53.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 74.32 110.895 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.76 -170.57 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.263 . . . . 71.14 112.326 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.01 -32.98 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 55.51 111.05 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -66.91 -28.59 68.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 71.21 110.94 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.6 -41.98 61.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 63.22 111.127 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.8 mt -52.33 -40.54 62.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.84 -24.5 38.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 54.24 111.154 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HA ' HD23 ' A' ' 53' ' ' LEU . . . -72.86 -21.63 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 72.54 111.11 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.53 -30.1 19.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 63.1 111.116 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.03 -78.24 0.15 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 22.1 112.484 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.688 ' O ' HD22 ' A' ' 53' ' ' LEU . . . -170.83 108.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 33.55 111.055 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.688 HD22 ' O ' ' A' ' 52' ' ' ALA . 4.1 mm? -133.38 -74.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 64.52 110.902 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -130.81 -98.13 0.78 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 65.13 112.51 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.6 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -72.89 77.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 40.32 111.097 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.2 t -93.0 -24.58 18.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.143 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.51 -8.87 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 71.12 111.098 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.696 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 51.3 111.06 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 43.9 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.854 0.359 . . . . 74.04 111.124 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -75.8 -7.14 53.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 73.03 110.92 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -109.22 -33.41 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 75.34 110.947 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.739 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -75.5 -34.22 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 62.25 111.146 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 13' ' ' ALA . . . -66.54 -18.25 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 41.24 111.086 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -91.98 -62.24 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 70.1 110.868 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.41 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 53.3 110.866 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -78.13 -70.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.91 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.19 81.92 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.76 -0.733 . . . . 43.42 112.454 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.621 HG22 ' CD2' ' A' ' 11' ' ' HIS . 5.4 mp -97.0 -72.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 62.33 111.144 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.621 ' CD2' HG22 ' A' ' 10' ' ' ILE . 19.3 m170 -116.36 -27.23 6.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.02 110.859 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -68.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 70.21 110.934 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB2' ' HB1' ' A' ' 5' ' ' ALA . . . -83.88 56.67 3.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 71.24 111.093 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.8 t -93.43 35.94 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 54.32 111.133 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.48 -42.47 2.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 64.21 112.498 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -68.13 -66.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 62.24 111.099 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.61 20.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 74.43 111.124 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -55.13 -42.7 73.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -75.05 -24.58 58.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.891 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.82 HD13 HD13 ' A' ' 37' ' ' ILE . 37.4 mt -75.9 -45.39 35.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 71.02 110.937 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.481 ' HA ' HG22 ' A' ' 24' ' ' VAL . 51.6 mt -59.16 -19.48 45.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 63.33 110.971 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -89.14 8.79 28.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 74.34 110.824 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.61 -46.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.24 111.101 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 21' ' ' LEU . 33.4 m -59.92 -33.79 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 63.21 111.158 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.0 -21.7 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.54 111.125 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 m -97.65 -20.65 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 70.15 110.883 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.75 -68.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 64.4 112.5 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . 57.66 66.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 72.2 111.086 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.0 t -155.0 24.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.864 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.68 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 54.42 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.27 -6.57 59.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 61.31 112.485 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.9 m -128.99 -42.06 1.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 53.24 111.154 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.9 -25.02 20.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.111 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -71.73 -39.96 69.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.926 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.54 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -73.37 -20.91 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.32 111.09 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.48 -19.76 41.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 54.44 111.103 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.82 HD13 HD13 ' A' ' 20' ' ' LEU . 15.2 pt -101.56 -21.4 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 70.13 111.096 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.682 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.0 mp -101.84 13.95 33.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.932 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.37 -14.06 19.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 72.31 112.535 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG13 HG22 ' A' ' 41' ' ' THR . 5.2 p -73.59 -30.82 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 72.24 111.122 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.646 HG23 HD12 ' A' ' 42' ' ' LEU . 2.7 t -140.59 -41.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 64.42 111.132 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.682 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.6 mp -72.31 160.36 82.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 73.24 110.879 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.62 2.213 . . . . 72.43 112.328 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.54 -26.2 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 60.13 111.092 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -71.27 -30.99 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.945 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.62 -28.51 21.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 70.23 111.146 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 35' ' ' ALA . 22.3 mt -64.24 -33.41 75.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 61.43 110.902 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.72 -25.98 34.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.078 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.17 -34.85 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 62.32 111.1 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.12 -29.46 21.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.01 111.151 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.37 -41.88 99.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 52.14 112.444 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.59 -69.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 63.21 111.104 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.6 tp -159.85 142.92 13.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 63.44 110.904 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.11 -115.72 0.38 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.815 -0.707 . . . . 61.45 112.522 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.32 110.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 74.22 111.1 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.3 p -80.48 57.02 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 52.11 111.122 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 66.88 23.2 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 42.02 111.092 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.739 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 63.44 111.075 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 45.3 mm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.87 0.367 . . . . 75.21 111.129 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -78.8 -5.62 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 72.44 110.926 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -107.17 -30.56 8.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 74.32 110.89 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -74.83 -34.04 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 60.21 111.086 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.76 -15.55 61.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 71.11 111.111 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -90.57 -73.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -51.74 -63.18 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.904 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -78.89 -70.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.915 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.57 85.11 0.95 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 73.42 112.518 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.32 63.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 74.03 111.122 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -150.72 105.25 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 62.41 110.88 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.76 18.98 20.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.904 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.691 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . -93.18 59.7 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 62.43 111.072 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -94.4 36.0 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 74.04 111.157 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -124.55 -45.46 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 54.31 112.491 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.1 m -117.7 -27.34 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 65.12 111.185 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -72.51 -25.2 61.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 63.24 111.116 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -55.88 -44.71 78.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 71.52 110.873 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -17.44 62.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 71.32 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 24' ' ' VAL . 25.7 mt -93.35 -47.93 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 73.25 110.904 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' HA ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -58.54 -28.85 65.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.935 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -87.5 7.11 30.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.858 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.47 -34.08 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 61.32 111.106 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 20' ' ' LEU . 21.8 m -72.77 -26.89 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 61.22 111.167 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.4 -9.7 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.092 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.3 t -114.85 -1.14 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 61.41 110.846 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.35 -59.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 75.5 112.481 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.62 55.25 4.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 75.3 111.08 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t -119.52 -30.99 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 75.51 110.89 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.47 146.91 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 61.21 110.891 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.8 -34.76 0.47 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 64.41 112.508 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -83.42 -50.21 8.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 74.25 111.111 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.32 61.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 65.2 111.073 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CD1' HD11 ' A' ' 37' ' ' ILE . 4.8 t80 -71.95 -29.85 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.03 110.866 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.437 ' HA ' HD21 ' A' ' 47' ' ' LEU . . . -80.37 -22.82 40.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 64.22 111.112 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.89 -13.77 59.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 62.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 34' ' ' PHE . 25.1 pt -106.59 -29.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 71.3 111.128 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.668 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -91.3 12.81 19.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 75.33 110.918 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.24 -14.37 18.66 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 63.24 112.487 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -74.48 -32.05 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.961 0.41 . . . . 74.13 111.138 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.639 HG23 HD12 ' A' ' 42' ' ' LEU . 2.9 t -137.67 -41.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 73.32 111.128 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.668 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.8 mp -73.69 160.47 82.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 65.41 110.907 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 71.41 112.382 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.34 -25.1 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.41 111.093 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -72.51 -29.06 63.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.92 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.73 -29.87 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 74.13 111.102 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 35' ' ' ALA . 9.9 mt -68.55 -42.95 77.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.12 110.898 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.91 -25.71 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.3 111.135 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.47 63.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 50.22 111.085 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.91 -27.13 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 60.11 111.076 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.32 -51.97 2.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 64.22 112.469 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.54 -55.57 33.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 61.44 111.112 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.3 tp -79.21 -54.83 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 65.23 110.933 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.15 -35.09 3.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.7 -0.762 . . . . 75.31 112.478 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 55.93 85.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 73.41 111.099 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 t -74.99 71.16 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 64.11 111.168 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.08 19.93 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.109 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.727 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.107 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.589 HG13 HD21 ' A' ' 42' ' ' LEU . 49.5 mm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.863 0.363 . . . . 73.41 111.144 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -66.61 -13.94 61.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 72.2 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -108.59 -35.1 6.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 70.04 110.88 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -73.73 -33.69 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 72.31 111.146 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.02 -19.09 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 63.4 111.11 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -90.38 -66.27 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 63.52 110.886 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -56.91 -62.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 54.53 110.939 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.429 ' HB3' HD11 ' A' ' 10' ' ' ILE . 53.3 m-85 -77.52 -70.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 64.42 110.894 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.35 86.03 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 52.04 112.453 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' A' ' 8' ' ' PHE . 4.0 mp -114.16 127.02 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.89 0.376 . . . . 73.31 111.121 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.0 m170 52.44 37.64 23.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 73.15 110.869 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.598 HD21 ' NH2' ' A' ' 18' ' ' ARG . 11.3 tp -53.55 129.4 32.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.937 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.54 ' N ' HD12 ' A' ' 12' ' ' LEU . . . -101.91 79.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 64.31 111.051 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 t -64.62 -15.33 61.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 63.11 111.186 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.02 -13.8 32.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 72.23 112.48 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 m -118.55 -68.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 73.43 111.124 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.37 -49.2 61.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 71.34 111.085 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.598 ' NH2' HD21 ' A' ' 12' ' ' LEU . 7.2 tpp85 -53.24 -48.52 68.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 64.24 110.859 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -70.2 -24.08 63.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 53.1 110.919 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.717 HD13 HD13 ' A' ' 37' ' ' ILE . 29.4 mt -76.18 -44.01 39.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.933 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.508 ' HA ' HG22 ' A' ' 24' ' ' VAL . 21.0 mt -59.59 -19.05 46.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 62.41 110.946 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -86.5 5.87 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 62.05 110.883 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.97 -48.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.42 111.088 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.676 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 22.5 m -59.02 -31.72 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 73.14 111.148 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.72 -17.68 56.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 70.11 111.054 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 p -97.77 -20.93 17.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 71.24 110.882 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.74 80.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 65.52 112.509 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.676 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -67.27 -78.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 71.01 111.117 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p 57.64 20.91 6.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.873 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.609 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -78.65 145.83 34.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.963 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.49 -18.82 3.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 54.34 112.501 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.8 m -112.68 -41.43 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.52 111.133 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.609 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -77.0 -24.46 52.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 15.01 111.102 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.626 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.5 t80 -80.26 -31.43 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.42 110.873 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -77.52 -25.06 49.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 62.24 111.121 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.62 -16.98 56.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 64.31 111.13 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.717 HD13 HD13 ' A' ' 20' ' ' LEU . 31.6 pt -102.44 -25.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 70.53 111.097 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.652 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.8 mp -98.26 16.5 21.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 70.15 110.936 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.77 -13.43 18.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 74.43 112.469 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.592 HG13 HG22 ' A' ' 41' ' ' THR . 5.1 p -74.68 -31.77 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 74.14 111.134 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.622 HG23 HD12 ' A' ' 42' ' ' LEU . 2.3 t -138.59 -41.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 63.11 111.155 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.652 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.9 mp -73.66 160.1 82.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.574 0.702 . . . . 63.12 110.959 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -170.63 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.265 . . . . 75.12 112.331 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.42 -27.14 11.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.08 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -70.99 -30.2 66.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.31 -26.8 31.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 51.33 111.106 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 35' ' ' ALA . 19.5 mt -66.69 -40.06 88.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 70.24 110.867 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.49 -25.83 41.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.145 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -25.44 62.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 54.44 111.066 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.88 -27.58 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 74.12 111.118 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.32 -31.12 34.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 54.42 112.525 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.14 -73.55 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 71.33 111.06 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.54 -68.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.938 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.95 -124.55 6.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 75.13 112.5 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -71.79 -33.62 68.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.857 0.361 . . . . 74.43 111.106 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' ALA . 10.1 t 36.68 44.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.41 111.163 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.44 58.11 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.2 111.132 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.759 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 55.24 111.078 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.498 ' CD1' HD11 ' A' ' 42' ' ' LEU . 41.7 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.823 0.344 . . . . 73.12 111.122 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -79.7 -2.49 43.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.95 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -110.82 -35.19 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 74.33 110.915 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -70.99 -40.19 75.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 71.51 111.106 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.13 -19.85 55.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.15 111.092 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -87.02 -72.32 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.15 110.913 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -52.37 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 63.03 110.91 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -78.83 -70.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.859 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.11 83.08 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 61.44 112.453 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -83.54 139.7 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 62.13 111.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -75.83 70.93 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 54.2 110.857 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -113.75 21.18 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 63.31 110.909 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.83 71.13 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.01 111.084 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.603 HG23 ' H ' ' A' ' 16' ' ' THR . 10.0 t -52.13 -29.45 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 63.32 111.124 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 128.82 -19.92 5.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 74.54 112.492 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.603 ' H ' HG23 ' A' ' 14' ' ' THR . 91.7 m -109.87 -25.75 10.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.757 0.313 . . . . 54.31 111.114 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.6 77.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 34.03 111.086 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -58.17 -23.55 55.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.849 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -32.52 39.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.865 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.635 ' O ' HG22 ' A' ' 24' ' ' VAL . 24.9 mt -74.67 -37.66 62.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.914 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.79 -16.92 53.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.94 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -101.93 -1.89 30.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 75.01 110.895 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.66 -21.63 8.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.22 111.109 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 20' ' ' LEU . 18.6 m -83.46 -29.16 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.45 111.151 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.79 -23.38 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.33 111.134 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -87.73 -25.42 23.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.916 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.11 77.91 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 33.32 112.501 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.608 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -72.69 84.04 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 65.12 111.122 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -130.15 30.87 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.903 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.565 HD23 ' H ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -96.84 177.34 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.901 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.565 ' H ' HD23 ' A' ' 30' ' ' LEU . . . -137.84 -35.63 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 41.44 112.501 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.3 m -82.71 -66.76 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.762 0.315 . . . . 71.02 111.142 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.49 ' HB1' HD11 ' A' ' 20' ' ' LEU . . . -50.6 -35.81 31.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 74.43 111.104 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -73.57 -38.87 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.14 110.841 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.632 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -72.59 -21.28 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.135 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.89 -18.32 54.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 63.14 111.106 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.429 HG21 HD12 ' A' ' 20' ' ' LEU . 27.8 pt -106.14 -26.2 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 61.53 111.115 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.689 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.0 mp -97.79 15.92 22.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.917 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.24 -13.13 18.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 32.32 112.47 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.581 HG13 HG22 ' A' ' 41' ' ' THR . 5.1 p -76.3 -31.83 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 64.24 111.177 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.658 HG23 HD12 ' A' ' 42' ' ' LEU . 2.5 t -138.04 -41.18 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 61.12 111.128 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.689 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.5 mp -74.11 160.23 82.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.704 . . . . 53.21 110.91 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -171.02 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.277 . . . . 74.32 112.38 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.12 -29.67 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 45.23 111.079 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -67.82 -33.88 75.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 71.52 110.889 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.04 -25.97 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 70.22 111.09 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 35' ' ' ALA . 18.3 mt -68.13 -35.37 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 72.52 110.898 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.77 -26.23 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 53.12 111.133 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.41 -24.94 34.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 72.14 111.147 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.51 -25.26 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 52.44 111.104 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.42 -55.86 20.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 52.22 112.475 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.66 -57.66 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 70.35 111.084 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.8 mt -150.91 120.33 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.34 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.59 -111.8 1.76 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 61.23 112.513 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 102.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 64.23 111.104 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.07 62.2 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 72.52 111.117 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.3 23.47 13.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 41.02 111.104 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.716 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.125 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.6 mm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.89 0.376 . . . . 63.11 111.149 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -78.77 -3.46 44.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.935 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -111.17 -37.75 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 62.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.725 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.8 mp -69.5 -32.78 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 63.03 111.124 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.65 -17.76 65.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.12 111.116 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.98 -71.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.855 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -53.09 -62.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.893 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.58 -70.75 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 65.2 110.919 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.7 47.66 7.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 31.5 112.47 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.12 -73.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 71.24 111.161 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.13 63.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 44.22 110.833 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -66.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 65.2 110.91 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.68 72.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 72.35 111.085 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 t -102.41 31.07 4.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 71.22 111.182 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.24 -45.46 1.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 60.05 112.518 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -124.38 -44.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 71.4 111.106 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.44 -28.79 56.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 64.44 111.153 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -53.09 61.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 72.1 110.865 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -56.75 -31.99 65.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.832 HD13 HD13 ' A' ' 37' ' ' ILE . 25.7 mt -73.42 -50.17 23.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.95 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.414 ' HA ' HG22 ' A' ' 24' ' ' VAL . 49.6 mt -59.28 -21.38 59.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 52.12 110.9 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -90.96 10.83 24.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.839 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.62 -40.3 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 43.44 111.074 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.682 HG12 HD23 ' A' ' 30' ' ' LEU . 16.4 m -64.56 -26.9 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 44.33 111.129 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.39 -7.19 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 35.15 111.11 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -111.77 -22.59 11.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 54.33 110.896 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.18 -51.14 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.674 -0.774 . . . . 55.13 112.443 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.98 45.8 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 62.34 111.07 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -113.75 24.3 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 55.31 110.911 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' A' ' 33' ' ' ALA . 1.4 mm? -63.62 -179.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 51.13 110.898 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 157.96 -22.16 0.38 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.705 -0.76 . . . . 71.35 112.423 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.1 m -115.78 -29.84 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 74.41 111.186 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.805 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -94.09 -24.53 17.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 53.24 111.093 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.495 ' CD1' HD11 ' A' ' 37' ' ' ILE . 4.8 t80 -70.42 -30.78 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.855 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.645 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -78.05 -24.18 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 62.21 111.074 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.93 -15.81 56.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 63.02 111.107 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.832 HD13 HD13 ' A' ' 20' ' ' LEU . 32.4 pt -103.28 -28.16 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.43 111.077 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.665 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -93.79 14.79 18.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 52.02 110.898 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.21 -13.74 18.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 40.53 112.499 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.599 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -74.85 -31.86 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 62.21 111.121 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.65 HG23 HD12 ' A' ' 42' ' ' LEU . 2.2 t -138.17 -41.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.148 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.665 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.9 mp -73.94 160.35 82.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.622 0.725 . . . . 74.22 110.902 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 71.04 112.346 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.62 -28.95 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 71.05 111.077 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 56.4 p-90 -68.47 -32.35 72.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 73.22 110.896 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.52 -26.76 33.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 61.4 111.117 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.645 HD13 ' CB ' ' A' ' 35' ' ' ALA . 13.8 mt -69.35 -35.13 75.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.911 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.95 -26.36 60.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 74.25 111.1 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.85 -27.22 22.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 72.13 111.126 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.71 -28.51 56.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 31.23 111.088 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.07 -46.55 91.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 74.3 112.525 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.86 87.99 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 72.14 111.104 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 53' ' ' LEU . 2.1 pt? -127.61 152.49 47.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.902 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -110.7 58.17 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 50.33 112.513 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -60.11 -33.72 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 51.15 111.046 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ALA . 9.4 t 36.85 44.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 65.52 111.124 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.62 57.86 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 53.32 111.093 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.725 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 74.44 111.084 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 39.8 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.875 0.369 . . . . 74.44 111.136 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -78.25 -3.42 42.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.911 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -107.72 -33.2 7.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 75.44 110.925 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.9 mp -73.4 -38.18 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 74.25 111.151 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HB1' HD13 ' A' ' 12' ' ' LEU . . . -60.08 -19.77 54.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 62.12 111.125 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.56 -70.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 52.34 110.872 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -53.85 -63.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 62.45 110.891 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -78.88 -71.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 73.41 110.868 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.44 27.83 60.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 60.12 112.488 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.89 126.47 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 61.03 111.12 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.1 m170 53.25 47.23 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.873 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.444 HD13 ' HB1' ' A' ' 5' ' ' ALA . 33.1 tp -81.56 -74.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.901 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.07 66.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.109 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 t -76.84 -4.53 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 60.2 111.17 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.92 -27.98 60.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 75.43 112.467 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -117.27 -20.51 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 72.04 111.129 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.59 -16.26 37.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 72.04 111.092 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -54.77 -31.63 59.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 62.34 110.864 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -39.16 33.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 63.04 110.902 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.835 HD13 HD13 ' A' ' 37' ' ' ILE . 29.5 mt -68.13 -42.07 80.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 73.14 110.921 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.474 ' HA ' HG22 ' A' ' 24' ' ' VAL . 42.1 mt -59.21 -19.43 45.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 44.35 110.956 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -89.06 9.17 26.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.88 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.4 -46.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 61.24 111.102 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 33.3 m -60.06 -33.13 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 53.21 111.162 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -22.0 49.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 65.3 111.06 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 m -108.68 8.62 27.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 71.4 110.871 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.84 88.58 0.48 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 74.22 112.504 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.512 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -63.69 -78.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 73.25 111.103 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p 56.93 22.2 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 53.22 110.866 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -73.47 -174.33 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.907 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.62 -33.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 71.05 112.487 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.2 m -106.69 -27.61 10.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 42.44 111.146 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.91 -34.86 19.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 55.21 111.136 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -65.29 -37.56 87.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 65.32 110.874 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.548 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -75.95 -24.75 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.52 111.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.71 -17.01 58.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 72.43 111.083 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.835 HD13 HD13 ' A' ' 20' ' ' LEU . 17.8 pt -104.44 -21.78 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 74.45 111.132 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.633 ' HG ' HD22 ' A' ' 42' ' ' LEU . 5.2 mp -107.01 16.99 23.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 62.54 110.957 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.55 -13.82 17.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 75.34 112.519 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.596 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -73.33 -31.16 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 74.43 111.154 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.68 HG23 HD12 ' A' ' 42' ' ' LEU . 2.5 t -139.54 -41.2 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 74.31 111.195 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.68 HD12 HG23 ' A' ' 41' ' ' THR . 2.1 mp -74.34 160.18 81.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 70.25 110.934 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.7 Cg_endo -69.76 -170.58 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 71.14 112.332 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.26 -28.26 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 63.32 111.115 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.9 p-90 -69.91 -27.84 65.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 75.55 110.87 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.424 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.77 -29.53 19.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 72.0 111.128 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 35' ' ' ALA . 23.8 mt -62.36 -39.18 92.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 54.1 110.925 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.92 -25.14 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 71.32 111.099 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.47 -22.72 35.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 65.41 111.106 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.36 -23.33 43.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 51.11 111.081 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.12 -33.58 37.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 71.25 112.507 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.43 126.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 75.43 111.067 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 mt -157.56 178.07 10.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 64.4 110.925 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.54 22.91 25.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 75.3 112.519 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.802 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -118.81 96.85 5.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 41.13 111.095 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.8 p -98.45 -28.55 13.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 65.44 111.187 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -118.21 -16.24 9.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.087 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.802 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 75.12 111.095 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.8 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.835 0.35 . . . . 70.12 111.139 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -77.65 -3.95 43.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 62.42 110.905 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -108.95 -32.84 7.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.135 -0.484 . . . . 70.3 110.931 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.8 mp -75.09 -30.98 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 75.4 111.118 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -19.5 63.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 75.31 111.084 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -89.24 -66.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 61.24 110.842 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -56.75 -63.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 45.25 110.873 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -76.93 -71.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.898 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.49 39.27 94.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 61.25 112.468 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.3 mt -75.28 -23.91 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.824 0.345 . . . . 61.41 111.09 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -111.2 70.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.853 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.1 tp -79.18 112.74 16.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 62.13 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.11 78.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.25 111.094 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.8 t -95.89 26.61 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 64.44 111.156 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.54 -84.11 1.76 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.691 -0.766 . . . . 60.02 112.483 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -106.36 -30.22 9.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 63.24 111.157 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.89 -25.96 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 55.2 111.127 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -57.35 -53.06 62.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 70.42 110.895 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -56.83 -25.18 55.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 52.25 110.879 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -83.58 -44.62 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.54 110.949 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' HA ' HG22 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -59.2 -19.78 48.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.12 110.917 179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -89.64 9.58 26.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 63.12 110.831 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.91 -46.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.113 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.502 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 34.4 m -59.14 -33.83 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 54.15 111.119 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.28 -21.84 50.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 53.51 111.075 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -103.82 -25.48 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.3 110.844 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.96 71.76 0.15 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.741 -0.742 . . . . 72.4 112.472 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.502 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -70.78 82.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 74.32 111.123 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -116.62 -3.61 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.877 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.61 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -56.63 144.17 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.898 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.55 -19.84 3.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 61.03 112.459 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -108.31 -38.16 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 61.03 111.147 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.61 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -77.01 -24.7 52.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.33 111.135 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.458 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.8 t80 -80.62 -33.83 35.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 74.33 110.883 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.569 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -77.47 -22.44 51.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.35 111.104 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.97 -15.84 56.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 44.23 111.116 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.458 HD11 ' CD1' ' A' ' 34' ' ' PHE . 30.1 pt -104.77 -29.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 51.43 111.124 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.667 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -95.59 17.57 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.902 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.72 -12.05 17.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 54.54 112.459 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.571 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -78.25 -31.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 75.1 111.166 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.699 HG23 HD12 ' A' ' 42' ' ' LEU . 2.4 t -137.56 -41.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 54.34 111.141 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.699 HD12 HG23 ' A' ' 41' ' ' THR . 2.0 mp -75.13 160.46 80.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.716 . . . . 71.34 110.91 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.7 Cg_endo -69.84 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.642 2.228 . . . . 75.14 112.35 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.05 -30.47 10.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 62.3 111.089 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -67.58 -29.76 69.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 73.52 110.9 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.431 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.87 -29.8 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 72.1 111.149 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' A' ' 35' ' ' ALA . 27.4 mt -63.0 -35.58 80.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 34.2 110.926 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.59 -25.5 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 32.2 111.141 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.32 -29.39 61.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.106 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.97 35.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 71.24 111.077 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.96 -61.25 7.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 62.33 112.515 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.83 161.7 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 70.33 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp 59.48 49.16 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.35 110.924 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.91 168.31 32.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 71.01 112.512 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.739 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -55.65 125.96 23.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 70.32 111.133 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -115.58 -30.02 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 63.3 111.173 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.83 -5.55 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 42.32 111.13 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.739 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 55.25 111.098 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.352 . . . . 72.34 111.114 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -77.46 -3.88 42.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 72.11 110.94 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -107.65 -32.89 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 74.05 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.9 mt -73.78 -40.29 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 73.31 111.147 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.9 -22.06 46.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 55.13 111.143 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -86.97 -68.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.89 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.01 -63.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.925 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -80.13 -70.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 64.32 110.894 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.453 ' O ' HD23 ' A' ' 12' ' ' LEU . . . 90.55 -67.06 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 70.53 112.484 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm 59.9 61.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.871 0.367 . . . . 72.42 111.143 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 51.56 31.07 7.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.888 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -52.28 140.06 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.51 110.928 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . -81.8 79.52 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 42.2 111.053 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -94.77 25.35 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 70.42 111.134 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.94 -69.63 1.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 52.23 112.474 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.8 m -101.84 -33.41 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.754 0.311 . . . . 44.11 111.086 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -60.04 -20.43 57.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 43.21 111.091 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -56.31 -52.52 64.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.893 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.2 -26.52 60.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 33.34 110.867 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.768 HD13 HD13 ' A' ' 37' ' ' ILE . 38.8 mt -80.74 -44.52 18.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 72.52 110.891 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.443 ' HA ' HG22 ' A' ' 24' ' ' VAL . 23.7 mt -69.27 -12.13 61.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.939 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -98.19 3.53 48.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.849 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.04 -38.27 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.057 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 20' ' ' LEU . 35.8 m -64.59 -33.9 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 60.11 111.091 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.19 -22.69 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 55.13 111.093 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -76.94 -38.99 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.44 110.911 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 163.7 82.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 53.12 112.496 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 24' ' ' VAL . . . -125.84 103.86 8.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 60.13 111.078 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.5 t -81.12 -0.76 41.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 65.25 110.859 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -51.25 146.01 7.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 54.05 110.914 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.16 -34.9 0.53 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.781 -0.723 . . . . 72.53 112.466 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.62 -48.21 11.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 74.04 111.138 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.03 69.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.42 111.163 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.658 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.2 t80 -73.52 -29.17 62.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.866 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.518 ' HA ' HD21 ' A' ' 47' ' ' LEU . . . -79.65 -22.76 43.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 64.51 111.123 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.9 -12.2 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 51.15 111.042 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.768 HD13 HD13 ' A' ' 20' ' ' LEU . 26.0 pt -106.95 -29.06 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 62.53 111.126 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.665 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.6 mp -96.59 17.65 15.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 64.31 110.885 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.81 -11.42 19.05 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 55.43 112.436 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG13 HG22 ' A' ' 41' ' ' THR . 5.2 p -78.78 -31.94 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 71.01 111.141 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.668 HG23 HD12 ' A' ' 42' ' ' LEU . 2.2 t -137.79 -41.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 44.33 111.111 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.668 HD12 HG23 ' A' ' 41' ' ' THR . 2.0 mp -74.94 160.48 80.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 74.41 110.904 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 74.25 112.324 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.26 -28.78 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 60.3 111.081 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -68.39 -29.67 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.24 110.882 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.18 -29.28 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.12 111.06 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' ' 35' ' ' ALA . 28.3 mt -64.73 -45.8 84.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 65.4 110.919 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.96 -34.7 64.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.22 111.111 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.43 -25.33 67.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 53.2 111.088 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.92 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.01 111.089 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.51 21.46 2.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 71.4 112.452 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.09 -75.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 70.1 111.052 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 mp -78.38 -71.59 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 65.12 110.888 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.37 38.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 71.04 112.489 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -93.33 115.33 27.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 75.41 111.116 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.0 t -115.24 -31.17 6.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 63.12 111.141 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.39 -15.52 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.084 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.703 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 64.24 111.131 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.0 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.818 0.342 . . . . 60.21 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -78.09 -4.0 45.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -109.7 -32.38 7.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.899 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.725 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -75.82 -32.54 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 75.44 111.158 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.32 -16.95 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 43.45 111.091 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.45 -68.57 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 64.45 110.881 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -54.37 -62.44 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.904 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -78.54 -71.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 72.14 110.869 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.77 80.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 72.21 112.469 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.6 mt -96.63 108.68 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 73.55 111.112 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 52.96 34.13 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 62.01 110.879 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.5 tp -54.11 134.22 44.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.929 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.83 78.53 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 64.22 111.091 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 t -95.22 24.67 4.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 74.11 111.13 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.28 -49.99 2.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 72.12 112.481 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -130.48 -40.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 74.13 111.156 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.22 -22.55 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 63.3 111.126 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -62.7 -48.05 80.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.846 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -59.99 -25.39 65.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.878 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.531 ' O ' HG22 ' A' ' 24' ' ' VAL . 35.1 mt -77.23 -44.62 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 73.44 110.906 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.427 ' HA ' HG22 ' A' ' 24' ' ' VAL . 29.0 mt -66.42 -14.1 61.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.55 110.945 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -96.45 9.02 42.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.876 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.57 -40.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 71.1 111.071 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 20' ' ' LEU . 35.2 m -64.86 -34.35 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 51.31 111.149 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.76 -24.16 33.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 53.43 111.062 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -75.65 -34.96 60.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 73.35 110.881 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 158.06 84.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 72.42 112.458 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.23 -41.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 65.31 111.144 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t 51.42 30.62 6.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 44.42 110.83 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.631 HD12 ' H ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -51.57 138.92 21.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 75.35 110.899 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.22 6.72 3.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 65.52 112.41 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.07 -38.16 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 64.21 111.111 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.631 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -87.03 -21.5 26.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 63.42 111.078 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.651 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.5 t80 -79.09 -31.18 44.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 65.41 110.844 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.584 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -78.1 -23.04 48.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 55.35 111.064 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.43 -13.38 56.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 41.43 111.114 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.651 HD11 ' CD1' ' A' ' 34' ' ' PHE . 33.6 pt -105.23 -28.96 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.31 111.128 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.678 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.3 mp -94.96 15.9 17.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.1 110.872 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.97 -13.39 18.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 74.22 112.524 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.599 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -75.65 -31.88 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 70.21 111.123 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.652 HG23 HD12 ' A' ' 42' ' ' LEU . 2.1 t -137.91 -41.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.12 111.169 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.678 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.9 mp -74.3 160.36 81.59 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.612 0.72 . . . . 74.42 110.942 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -170.78 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.762 2.308 . . . . 45.25 112.332 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.98 -33.3 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.04 111.07 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -63.87 -32.59 74.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 73.23 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.53 -27.77 27.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.073 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.584 HD13 ' CB ' ' A' ' 35' ' ' ALA . 14.6 mt -71.55 -36.77 71.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 75.54 110.922 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.18 -25.53 51.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 51.44 111.082 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.87 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.33 111.129 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.16 -37.19 74.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 63.35 111.087 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.73 -30.66 9.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 63.04 112.519 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.44 177.43 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 70.23 111.125 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 53' ' ' LEU . 1.3 pt? -105.99 43.83 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 74.34 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.04 -47.61 0.94 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.777 -0.725 . . . . 40.24 112.453 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -151.27 111.29 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 74.45 111.112 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 t -115.41 -26.72 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 50.54 111.114 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.41 -4.73 7.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 73.31 111.082 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.725 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 42.32 111.1 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.4 mm . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.848 0.356 . . . . 75.43 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -80.97 -1.5 43.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 65.1 110.903 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -111.62 -38.17 4.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 75.24 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -65.8 -37.67 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 72.34 111.122 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.38 -17.03 58.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 73.33 111.088 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -86.71 -74.49 0.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 65.12 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -52.38 -63.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 72.01 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -77.98 -70.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 64.14 110.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.96 75.43 1.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 43.24 112.464 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mm -81.74 150.04 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 72.11 111.147 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -76.28 69.68 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 74.51 110.853 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 147.17 30.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 65.13 110.955 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . -83.79 88.37 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 63.21 111.101 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.3 t -95.06 25.62 4.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.55 111.101 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.09 -49.38 1.25 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 24.35 112.514 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 m -115.7 -23.77 8.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.743 0.306 . . . . 70.45 111.156 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -88.66 -18.68 27.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 71.24 111.054 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -54.6 -37.76 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 74.24 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -64.39 -39.73 94.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.921 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.1 mt -71.0 -47.89 56.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 53.21 110.923 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 21' ' ' LEU . 3.2 tm? -59.13 -24.67 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 53.22 110.909 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -82.31 1.87 34.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 55.21 110.844 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.52 -50.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 75.21 111.061 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.528 HG22 ' HA ' ' A' ' 21' ' ' LEU . 13.5 m -58.22 -28.08 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 74.15 111.084 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.28 -3.23 38.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.052 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -113.7 -20.43 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 53.13 110.839 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.83 -39.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 45.12 112.454 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . 57.39 58.61 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 72.41 111.094 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 p -98.92 -46.98 5.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.836 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.52 148.79 4.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 72.44 110.893 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.81 -35.49 0.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.68 -0.771 . . . . 43.24 112.427 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -85.12 -46.55 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 72.12 111.133 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.87 -34.43 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 53.32 111.136 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.628 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.7 t80 -76.64 -31.24 57.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 61.41 110.915 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.678 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -77.34 -24.43 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 41.3 111.084 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.9 -18.08 51.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 55.35 111.11 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.628 HD11 ' CD1' ' A' ' 34' ' ' PHE . 40.9 pt -100.2 -27.64 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 74.54 111.083 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.683 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.1 mp -92.97 14.43 17.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.915 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.33 -14.74 17.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 61.13 112.502 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG13 HG22 ' A' ' 41' ' ' THR . 4.9 p -73.08 -31.68 36.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.911 0.386 . . . . 73.43 111.101 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.639 HG23 HD12 ' A' ' 42' ' ' LEU . 2.4 t -138.64 -41.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.23 111.111 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.683 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.6 mp -73.67 160.52 81.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 73.33 110.917 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -170.51 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.634 2.223 . . . . 74.5 112.364 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.36 -28.21 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 71.33 111.127 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -67.76 -31.67 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.947 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.41 -24.45 44.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 54.12 111.111 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.678 HD13 ' CB ' ' A' ' 35' ' ' ALA . 11.6 mt -74.15 -36.71 64.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 62.33 110.946 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.18 -25.27 55.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 73.34 111.124 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.15 63.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 62.51 111.08 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.46 -30.8 67.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 62.22 111.084 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.82 -43.66 60.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 74.32 112.524 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.77 -48.83 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.868 0.365 . . . . 74.22 111.096 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -145.13 112.01 5.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 71.32 110.872 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.52 -178.13 4.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 71.33 112.49 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.09 102.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 52.12 111.157 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -76.95 62.1 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 55.23 111.166 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.33 25.0 13.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 72.32 111.128 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.723 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 44.24 111.117 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.481 HD11 HD21 ' A' ' 42' ' ' LEU . 41.3 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.879 0.371 . . . . 61.43 111.166 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.648 ' OH ' HD22 ' A' ' 21' ' ' LEU . 59.1 m-85 -78.89 -3.24 43.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.881 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -109.92 -34.44 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.704 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -72.32 -34.74 50.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 63.11 111.15 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.5 -18.53 65.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 74.2 111.09 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.55 -72.04 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.3 110.883 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -52.26 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.956 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -77.41 -66.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.912 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.52 67.47 2.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 73.41 112.495 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.611 HG22 ' H ' ' A' ' 12' ' ' LEU . 45.8 mm -51.7 136.62 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 72.12 111.131 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -51.83 -37.29 51.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.89 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.611 ' H ' HG22 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -52.39 -67.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 61.12 110.906 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.51 54.02 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 64.51 111.134 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -92.2 36.34 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 71.22 111.157 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.25 44.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 62.32 112.504 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 m -129.0 -55.78 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 53.11 111.179 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.62 -25.39 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 61.21 111.097 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -56.71 -51.29 69.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.873 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -56.56 -24.9 50.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.906 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.535 ' CD1' HD13 ' A' ' 37' ' ' ILE . 40.6 mt -84.67 -46.88 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 72.51 110.936 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.648 HD22 ' OH ' ' A' ' 2' ' ' TYR . 52.5 mt -67.75 -15.82 63.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 71.25 110.908 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -96.68 9.38 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.846 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.83 -39.91 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 73.23 111.105 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 20' ' ' LEU . 34.2 m -62.37 -34.24 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 73.43 111.121 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -23.59 50.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 55.12 111.157 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -123.12 23.01 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 55.15 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.99 63.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 51.25 112.449 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -70.37 82.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 54.12 111.101 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.7 m -92.74 -6.1 49.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.828 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.793 HD11 ' HB3' ' A' ' 33' ' ' ALA . 1.5 mm? -57.2 -179.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 61.5 110.901 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.37 -22.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 60.22 112.482 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.6 m -113.7 -32.95 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.787 0.327 . . . . 42.33 111.143 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.793 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -90.35 -25.48 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 53.52 111.09 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.9 t80 -63.95 -30.0 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.882 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.56 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -77.5 -24.11 50.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 52.33 111.143 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.56 -16.86 55.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 74.42 111.132 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.535 HD13 ' CD1' ' A' ' 20' ' ' LEU . 36.4 pt -102.36 -28.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.35 111.136 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.664 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -98.02 17.62 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 65.34 110.937 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.39 -12.53 19.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 71.14 112.521 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.599 HG13 HG22 ' A' ' 41' ' ' THR . 5.2 p -75.58 -31.61 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.403 . . . . 64.24 111.134 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 HD12 ' A' ' 42' ' ' LEU . 2.5 t -139.21 -41.39 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 64.13 111.136 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.679 HD12 HG23 ' A' ' 41' ' ' THR . 1.9 mp -73.89 160.4 81.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 73.4 110.891 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.74 -170.91 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.713 2.275 . . . . 72.13 112.356 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.54 -28.64 11.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 71.43 111.094 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.1 p-90 -69.3 -29.64 67.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 54.3 110.932 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.73 -29.86 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 71.31 111.084 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 35' ' ' ALA . 24.7 mt -61.65 -39.68 92.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 65.13 110.932 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.98 -28.71 70.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 45.22 111.101 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.85 -24.33 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 70.33 111.115 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.74 -30.23 21.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 63.41 111.096 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.84 24.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 63.31 112.479 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.8 -178.26 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 71.04 111.142 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -51.87 121.72 7.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 75.25 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.09 -73.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 73.02 112.493 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.57 101.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 63.51 111.101 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.02 62.34 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 64.41 111.125 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.27 26.89 13.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.43 111.114 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.704 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.53 111.064 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.796 0.331 . . . . 65.13 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -81.39 -1.48 45.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.02 110.93 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -111.43 -37.83 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 64.43 110.89 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.5 mp -64.49 -37.62 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 54.51 111.139 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.43 -18.86 53.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.22 111.117 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -85.46 -71.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.845 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -56.72 -63.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.91 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -75.56 -71.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.847 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.83 85.94 1.78 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 75.24 112.473 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.9 mt -95.66 147.27 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 74.45 111.17 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -98.39 40.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 63.42 110.848 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.728 HD11 HG21 ' A' ' 41' ' ' THR . 0.2 OUTLIER -66.74 -69.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.5 110.873 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.41 59.11 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 72.01 111.135 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.6 t -58.72 -18.23 29.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 71.33 111.157 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.99 -54.61 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 53.1 112.491 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.4 m -51.79 -70.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 52.11 111.153 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.57 -45.28 63.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 31.43 111.095 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -45.87 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.867 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -61.13 -24.28 66.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.905 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.589 HD13 HD13 ' A' ' 37' ' ' ILE . 19.2 mt -86.39 -49.75 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 61.43 110.929 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -20.29 56.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 62.52 110.871 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -99.69 -0.97 39.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 62.02 110.9 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.82 -16.25 9.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 75.43 111.102 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 20' ' ' LEU . 28.5 m -88.47 -31.35 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 65.22 111.101 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.69 -24.77 36.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.122 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -74.24 -25.93 59.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.874 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.59 83.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 51.21 112.496 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.98 114.98 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 73.03 111.069 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 m -112.95 27.78 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 41.23 110.855 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -51.71 144.4 11.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 51.42 110.92 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.43 -25.51 2.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.76 . . . . 52.22 112.467 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -96.69 -43.33 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 74.53 111.157 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.41 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -63.81 -35.18 79.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 44.34 111.158 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.676 ' CD1' HD11 ' A' ' 37' ' ' ILE . 5.3 t80 -66.37 -28.1 68.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 73.43 110.899 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.601 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -78.76 -21.35 48.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 60.44 111.144 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.45 -15.19 58.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 54.44 111.069 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.676 HD11 ' CD1' ' A' ' 34' ' ' PHE . 27.9 pt -105.36 -28.32 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 63.54 111.137 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.678 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.3 mp -98.12 13.89 29.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 71.02 110.897 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -106.9 -13.83 20.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 63.21 112.538 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.615 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -73.35 -30.19 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.363 . . . . 64.13 111.092 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.728 HG21 HD11 ' A' ' 12' ' ' LEU . 2.2 t -141.38 -41.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.32 111.154 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.678 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.7 mp -72.36 160.37 82.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 72.45 110.906 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -170.8 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 73.34 112.336 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.96 -27.39 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 71.12 111.12 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -68.49 -30.27 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 71.13 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.62 42.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.077 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 35' ' ' ALA . 12.6 mt -74.24 -39.2 63.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 55.22 110.877 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.28 -24.59 59.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.14 111.105 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.68 -23.99 61.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 70.34 111.111 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.93 -25.3 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 73.04 111.113 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.65 -20.77 18.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 65.51 112.479 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.8 -75.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 55.02 111.114 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.0 mt -132.3 77.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 64.3 110.916 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.63 177.28 7.9 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 65.52 112.533 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.52 102.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 71.41 111.113 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.0 62.14 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 74.34 111.159 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.21 25.02 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 65.2 111.126 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.709 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.01 111.117 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.833 0.349 . . . . 65.43 111.135 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -77.56 -4.3 45.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.903 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -108.51 -33.73 6.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.947 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -73.23 -39.76 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 73.02 111.132 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.777 ' HB1' HD22 ' A' ' 12' ' ' LEU . . . -60.08 -20.36 57.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 74.1 111.101 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -88.04 -70.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.897 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -52.34 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.893 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -80.17 -70.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 62.02 110.855 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.545 ' C ' HD12 ' A' ' 10' ' ' ILE . . . 90.0 -50.93 3.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 73.45 112.555 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.545 HD12 ' C ' ' A' ' 9' ' ' GLY . 3.2 mp 54.64 56.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 73.34 111.113 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.3 m80 51.64 35.01 13.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.876 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.777 HD22 ' HB1' ' A' ' 5' ' ' ALA . 20.7 tp -54.69 131.69 44.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.31 110.884 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.06 77.51 10.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 42.42 111.073 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -94.82 25.05 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 71.32 111.175 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.07 -35.02 25.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 75.21 112.437 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.6 m -116.6 -23.42 8.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 74.24 111.14 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.02 -22.54 50.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 63.51 111.097 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -53.96 -38.1 64.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.925 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -25.07 64.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 72.15 110.9 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.523 HD13 HD13 ' A' ' 37' ' ' ILE . 13.9 mt -85.37 -51.5 6.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 54.43 110.925 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.453 ' HA ' HG22 ' A' ' 24' ' ' VAL . 43.7 mt -59.47 -20.7 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 71.51 110.898 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -90.89 9.97 28.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 63.12 110.867 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.41 -40.31 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 73.01 111.105 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.66 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 22.1 m -60.37 -31.32 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 61.13 111.129 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.85 -23.72 66.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 65.24 111.151 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.4 t -101.2 -25.74 13.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 51.45 110.849 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.95 78.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.717 . . . . 61.25 112.53 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.66 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -70.79 82.46 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 63.03 111.082 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 m -92.02 -35.08 14.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.838 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -51.67 145.84 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 75.24 110.9 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.17 -33.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.76 . . . . 71.34 112.463 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -86.68 -49.58 7.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.748 0.309 . . . . 63.42 111.148 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.09 -39.04 65.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 72.13 111.07 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -69.63 -28.87 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.919 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.13 -21.04 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 44.43 111.069 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.04 -17.76 49.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 53.11 111.136 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.523 HD13 HD13 ' A' ' 20' ' ' LEU . 5.8 pt -103.36 -22.26 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.129 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.655 ' CD2' HD22 ' A' ' 42' ' ' LEU . 5.3 mp -105.41 -16.19 14.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 75.35 110.885 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.55 3.39 85.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 64.12 112.5 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -99.88 -36.29 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 75.22 111.158 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.586 HG23 HD12 ' A' ' 42' ' ' LEU . 4.5 t -129.06 -42.0 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 72.01 111.196 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.655 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.7 mp -72.88 163.41 68.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.633 0.73 . . . . 70.44 110.909 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.1 Cg_endo -69.81 -172.8 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 71.33 112.295 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.0 -38.02 9.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 71.04 111.095 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -59.66 -30.65 68.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.934 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.97 -42.44 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.094 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.3 mt -58.33 -31.7 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 55.31 110.917 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.51 -35.41 30.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 71.41 111.127 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.23 -26.28 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.2 111.098 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.39 -30.37 39.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 52.33 111.1 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.41 39.73 1.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 63.22 112.442 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.91 167.69 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 71.15 111.112 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.516 HD13 ' N ' ' A' ' 54' ' ' GLY . 0.3 OUTLIER -60.5 126.61 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.54 110.931 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.516 ' N ' HD13 ' A' ' 53' ' ' LEU . . . 158.74 -153.48 24.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 54.12 112.466 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.2 120.71 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 73.12 111.118 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 t -121.12 -36.24 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.52 111.131 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.44 -7.78 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 72.33 111.122 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 64.03 111.128 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.4 mm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.866 0.365 . . . . 75.23 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -77.87 -5.54 51.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 72.54 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -109.19 -32.69 7.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -75.82 -31.95 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 72.12 111.114 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.1 -17.49 64.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.34 111.115 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -92.68 -63.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.11 110.859 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -59.36 -63.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 65.04 110.897 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -77.81 -71.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 71.13 110.906 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.37 83.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 73.12 112.5 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mt -92.96 62.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 75.14 111.121 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 51.38 31.09 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 52.13 110.856 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -61.98 -17.78 58.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 72.42 110.927 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.6 57.93 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.126 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.736 HG23 ' H ' ' A' ' 16' ' ' THR . 7.1 t -63.91 -13.19 43.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 74.2 111.142 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.82 -13.87 66.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 73.41 112.498 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.736 ' H ' HG23 ' A' ' 14' ' ' THR . 87.4 m -99.03 -21.13 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 71.33 111.135 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.03 -22.03 23.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 61.22 111.123 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.83 -35.31 44.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.879 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -70.49 -39.79 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.917 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.95 -47.78 76.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 65.14 110.908 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' HA ' HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -58.43 -23.18 56.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 60.01 110.945 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -91.05 13.57 16.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 72.3 110.857 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.97 -40.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 50.42 111.106 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.613 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 22.4 m -64.7 -32.25 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 55.44 111.118 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -16.94 58.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 65.04 111.101 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -120.68 13.89 11.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 52.24 110.829 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.98 78.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 52.22 112.475 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.613 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -71.75 82.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 65.53 111.092 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.49 -39.08 12.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 74.34 110.87 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.59 144.44 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 44.21 110.936 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.7 -33.39 0.61 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 52.35 112.503 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.01 -48.47 9.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 75.41 111.143 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.9 85.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 60.0 111.102 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.9 t80 -66.57 -30.8 71.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.886 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.51 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -79.56 -22.89 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 71.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -17.14 51.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 65.15 111.114 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.477 HG13 HD12 ' A' ' 38' ' ' LEU . 27.3 pt -101.96 -25.64 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 63.41 111.111 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.671 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -96.72 15.95 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 73.03 110.903 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.78 -12.14 19.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 62.13 112.464 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.572 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -78.26 -32.07 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 74.3 111.109 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.667 HG23 HD12 ' A' ' 42' ' ' LEU . 2.4 t -137.18 -40.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 74.01 111.186 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.671 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.8 mp -75.01 160.54 80.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 74.33 110.907 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -170.87 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 73.31 112.307 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.22 -29.62 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 54.34 111.089 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -66.68 -31.39 72.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.903 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.11 -29.51 22.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 74.3 111.09 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.51 HD13 ' CB ' ' A' ' 35' ' ' ALA . 17.5 mt -67.96 -38.12 82.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.898 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.96 -26.34 66.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 64.33 111.098 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.19 -26.72 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.134 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.39 -25.8 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.18 19.63 48.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 71.45 112.487 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.94 -65.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 72.32 111.067 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.9 -70.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 63.03 110.927 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.43 143.21 4.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 53.44 112.493 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.86 101.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 70.34 111.084 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 t -77.01 62.49 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 70.22 111.114 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.09 27.17 14.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.14 111.094 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.729 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 54.14 111.094 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 38.2 mm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.779 0.323 . . . . 51.41 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -78.47 -3.66 44.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 71.2 110.911 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -108.39 -31.97 7.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 63.31 110.966 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.73 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -74.86 -32.78 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.12 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.83 -19.43 64.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 62.2 111.129 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -87.17 -65.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.874 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -59.06 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 72.55 110.916 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -75.83 -64.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 63.54 110.921 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.37 86.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 73.42 112.512 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.23 107.73 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 74.14 111.172 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.22 105.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 62.1 110.865 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.9 tp -140.08 -75.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 70.51 110.883 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 51.97 67.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 71.54 111.058 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 16' ' ' THR . 6.9 t -72.07 -9.39 58.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 71.13 111.131 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.23 -14.65 63.09 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.686 -0.768 . . . . 74.31 112.504 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.694 ' H ' HG23 ' A' ' 14' ' ' THR . 89.3 m -105.4 -21.13 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 63.23 111.105 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.61 -48.61 18.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.34 111.102 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -53.92 -27.42 30.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.922 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -68.01 -32.04 72.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.54 110.906 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.45 HD12 HD13 ' A' ' 37' ' ' ILE . 27.1 mt -70.41 -47.07 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 64.34 110.91 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.419 ' HA ' HG22 ' A' ' 24' ' ' VAL . 5.0 mt -59.6 -19.27 47.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 70.53 110.885 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -93.66 12.83 24.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.855 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.24 -41.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 74.31 111.137 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 28.4 m -63.02 -32.2 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.22 111.117 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.77 -15.83 59.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 71.41 111.114 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m -126.74 17.74 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.19 65.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 55.41 112.529 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.512 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -71.67 82.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 41.31 111.128 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 t -106.01 -35.3 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.847 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.17 143.13 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 63.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.79 -35.01 0.46 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 53.1 112.477 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -79.46 -52.61 7.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 74.21 111.093 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.01 -34.97 61.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 63.41 111.121 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.577 ' CD1' HD11 ' A' ' 37' ' ' ILE . 5.4 t80 -70.98 -28.35 64.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 54.32 110.884 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.797 ' HB1' HD13 ' A' ' 47' ' ' LEU . . . -79.24 -22.08 45.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 75.21 111.074 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.14 -16.74 52.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 53.14 111.092 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 34' ' ' PHE . 17.1 pt -100.61 -22.35 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 75.45 111.095 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.657 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.6 mp -97.55 14.37 26.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 72.55 110.904 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.54 -14.43 17.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 61.44 112.491 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.6 HG13 HG22 ' A' ' 41' ' ' THR . 4.8 p -74.13 -31.94 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.925 0.393 . . . . 71.52 111.133 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.666 HG23 HD12 ' A' ' 42' ' ' LEU . 2.2 t -137.36 -41.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.52 111.137 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.666 HD12 HG23 ' A' ' 41' ' ' THR . 2.0 mp -74.68 160.46 80.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 65.33 110.934 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -170.8 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 74.31 112.341 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.66 -30.63 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.106 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -65.26 -31.68 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.83 -26.65 58.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.35 111.1 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.797 HD13 ' HB1' ' A' ' 35' ' ' ALA . 11.2 mt -72.67 -34.82 67.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.936 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.81 -28.44 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.5 111.132 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.69 -25.33 59.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.33 111.082 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.6 -26.64 27.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 72.21 111.125 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.64 -58.65 11.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 71.35 112.491 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.83 -55.6 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 75.42 111.072 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.25 144.23 31.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 63.02 110.958 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.86 139.75 20.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.77 -0.729 . . . . 30.45 112.453 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.61 101.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 73.34 111.103 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.01 62.15 2.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 64.14 111.167 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.29 26.32 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 52.54 111.094 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.73 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 65.23 111.111 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.873 0.368 . . . . 71.24 111.119 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.3 -4.45 45.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.929 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -106.2 -31.99 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 62.24 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.9 mt -72.24 -39.43 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 72.43 111.092 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.15 -16.54 60.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 64.03 111.087 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -88.11 -61.61 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 65.54 110.886 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -67.25 -64.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -71.88 -61.68 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.835 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.28 73.35 0.51 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 54.23 112.504 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.1 mm -66.36 151.58 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 65.31 111.134 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -52.08 -28.8 18.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 71.24 110.836 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.2 -46.67 62.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 62.43 110.929 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.33 56.26 1.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 45.13 111.12 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.6 t -93.14 35.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 71.24 111.178 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.39 -45.16 1.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 71.5 112.485 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 m -54.08 -62.5 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 33.33 111.136 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -33.49 73.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 111.096 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -56.87 -51.6 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.85 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -62.88 -26.81 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.917 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.553 HD13 HD13 ' A' ' 37' ' ' ILE . 35.5 mt -75.29 -44.47 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.881 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HA ' HG22 ' A' ' 24' ' ' VAL . 34.5 mt -69.09 -13.62 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 75.45 110.889 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -97.63 8.2 45.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 71.11 110.852 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.09 -39.59 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 74.2 111.104 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 20' ' ' LEU . 35.5 m -64.18 -33.51 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 35.54 111.143 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -22.02 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 63.24 111.114 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -77.77 -39.27 44.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 70.41 110.87 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.12 82.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.474 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.444 ' HB2' ' HA ' ' A' ' 24' ' ' VAL . . . -127.92 105.17 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 63.1 111.073 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -86.09 4.37 38.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.861 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -51.52 143.75 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.948 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.55 -33.73 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 73.01 112.479 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -83.87 -49.6 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 73.13 111.121 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.42 -36.74 66.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 61.45 111.074 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.4 t80 -75.9 -29.79 58.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 72.41 110.863 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.594 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -78.75 -22.45 46.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 71.44 111.075 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.8 -16.15 56.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 54.33 111.116 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.56 HD11 ' CD1' ' A' ' 34' ' ' PHE . 33.4 pt -104.36 -29.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 75.15 111.167 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.637 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.8 mp -98.24 17.98 17.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.885 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.75 -10.17 23.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 63.43 112.462 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.595 HG13 HG22 ' A' ' 41' ' ' THR . 5.3 p -78.34 -31.21 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 63.32 111.153 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.653 HG23 HD12 ' A' ' 42' ' ' LEU . 2.5 t -139.91 -41.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 45.14 111.169 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.653 HD12 HG23 ' A' ' 41' ' ' THR . 1.9 mp -73.72 160.58 81.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.631 0.729 . . . . 73.32 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -170.8 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.653 2.235 . . . . 75.51 112.329 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.8 -29.79 10.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 52.24 111.135 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -67.76 -33.16 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.949 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.98 -25.18 42.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 65.5 111.098 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 35' ' ' ALA . 14.3 mt -71.41 -36.58 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 72.22 110.915 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.73 -25.35 41.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 30.42 111.091 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.88 -37.24 62.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 44.32 111.135 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.84 24.1 5.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 42.22 111.118 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.26 -39.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.65 -0.786 . . . . 64.45 112.449 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.18 -53.06 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 52.11 111.071 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.9 tp -169.69 135.34 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.96 -143.24 10.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 72.53 112.544 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -53.57 110.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 73.44 111.14 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 t -116.44 -25.0 7.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 72.55 111.178 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.09 -14.64 9.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 64.44 111.142 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.69 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 61.11 111.098 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.5 mm . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.87 0.367 . . . . 65.33 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -80.05 -2.2 43.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 72.14 110.942 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -111.04 -35.04 6.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 71.25 110.926 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -71.0 -37.99 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.22 111.147 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.97 -19.25 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 60.4 111.113 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -87.66 -69.06 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.834 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -56.62 -62.96 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 51.21 110.938 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.411 ' CD1' HG23 ' A' ' 4' ' ' ILE . 52.5 m-85 -77.13 -71.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.834 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.51 92.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 70.14 112.486 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.07 80.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 53.42 111.112 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.4 m170 58.93 25.5 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 75.14 110.827 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.504 HD22 ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -53.07 141.74 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.911 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.428 ' H ' HD13 ' A' ' 12' ' ' LEU . . . -85.35 76.42 10.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 74.31 111.069 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 t -94.91 31.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 72.22 111.112 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.21 -34.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 75.2 112.479 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -104.13 -66.95 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 74.41 111.15 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.92 -22.99 28.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 74.34 111.158 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.03 -35.25 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.864 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -33.64 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.918 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.699 HD13 HD13 ' A' ' 37' ' ' ILE . 26.5 mt -64.79 -43.37 93.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 74.03 110.893 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.35 -13.6 60.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.13 110.912 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -102.69 -2.27 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 54.42 110.819 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -118.61 -26.97 6.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.079 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 20' ' ' LEU . 29.3 m -77.17 -31.36 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 45.12 111.18 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.05 -22.88 42.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.34 111.051 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -74.92 -33.62 62.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 52.42 110.84 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.93 78.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 65.5 112.5 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.42 115.48 6.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 63.25 111.099 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.7 p -117.27 37.8 3.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 60.53 110.852 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.606 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -52.09 143.57 13.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 64.35 110.909 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.13 -18.74 4.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.781 -0.723 . . . . 41.44 112.493 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.5 m -107.85 -41.59 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 73.35 111.108 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.606 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -78.18 -29.39 48.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 51.5 111.112 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.706 ' CD1' HD11 ' A' ' 37' ' ' ILE . 3.1 t80 -72.3 -25.7 61.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.886 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.0 -20.35 45.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 72.4 111.141 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.48 -16.68 51.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 62.34 111.107 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.706 HD11 ' CD1' ' A' ' 34' ' ' PHE . 11.0 pt -105.28 -23.94 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 61.43 111.113 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.659 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.8 mp -102.27 -18.54 15.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 70.12 110.925 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.68 3.27 87.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.732 . . . . 61.1 112.485 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -98.59 -35.65 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.391 . . . . 64.22 111.112 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.612 HG23 HD12 ' A' ' 42' ' ' LEU . 4.9 t -131.39 -41.73 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 50.33 111.107 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.659 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.7 mp -72.25 163.41 67.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 73.13 110.898 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.577 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.9 Cg_endo -69.77 -173.15 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.622 2.215 . . . . 55.21 112.334 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.48 -47.7 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 75.12 111.105 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -53.59 -32.47 51.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 65.4 110.924 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.577 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -52.0 -40.37 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 70.11 111.041 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.1 mt -52.24 -42.31 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.26 -0.427 . . . . 75.51 110.918 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.32 -25.1 61.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 54.21 111.097 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.41 -24.43 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 54.24 111.121 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.69 -42.4 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.42 111.08 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.28 -79.13 0.46 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.742 . . . . 75.43 112.534 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.39 155.07 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 63.21 111.098 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.432 HD23 ' H ' ' A' ' 53' ' ' LEU . 1.7 pt? -51.92 143.07 14.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.902 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.81 -79.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 50.41 112.507 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.39 100.38 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 61.4 111.094 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -77.02 63.23 2.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.093 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.24 25.44 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 53.22 111.108 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 41.03 111.073 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 39.0 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.879 0.371 . . . . 61.43 111.15 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.448 ' CZ ' HD22 ' A' ' 21' ' ' LEU . 64.1 m-85 -80.89 -2.77 48.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.925 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -112.97 -40.71 3.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 52.21 110.909 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -65.88 -38.54 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 74.45 111.09 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.06 62.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.084 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -86.53 -73.56 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 75.44 110.867 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -51.5 -62.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.858 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -77.79 -63.12 1.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 72.31 110.863 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.3 74.32 0.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 74.4 112.531 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.2 mm -66.19 149.94 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 73.34 111.131 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -77.93 59.23 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.799 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 13' ' ' ALA . 20.9 tp -107.39 148.29 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 54.23 110.912 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' H ' HD12 ' A' ' 12' ' ' LEU . . . -76.67 64.18 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 71.14 111.115 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -93.66 20.18 7.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 61.41 111.144 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.56 -29.38 73.94 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 52.02 112.44 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.4 m -72.17 -45.38 60.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 73.31 111.141 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.63 -22.1 63.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 75.31 111.102 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -46.82 65.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.906 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -60.49 -26.0 66.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.919 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.803 HD13 HD13 ' A' ' 37' ' ' ILE . 40.4 mt -84.56 -44.9 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.893 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HA ' HG22 ' A' ' 24' ' ' VAL . 42.5 mt -59.47 -19.76 50.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 74.03 110.886 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -87.93 7.48 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.876 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.12 -47.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.31 111.097 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 21' ' ' LEU . 31.4 m -60.44 -32.79 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 73.45 111.127 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.25 -20.72 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.42 111.104 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -108.82 6.17 25.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 70.21 110.868 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.12 -73.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 42.15 112.465 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.24 63.58 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 53.21 111.086 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -110.35 -34.85 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 72.24 110.867 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.535 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -52.03 144.71 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 74.12 110.917 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.32 -22.84 3.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 42.2 112.476 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -102.11 -39.21 7.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.796 0.331 . . . . 63.41 111.168 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.535 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -72.14 -27.43 62.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 63.1 111.139 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.636 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.3 t80 -81.57 -30.37 33.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.889 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.573 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -78.79 -24.37 44.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 73.41 111.088 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.7 -15.83 55.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 60.42 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.803 HD13 HD13 ' A' ' 20' ' ' LEU . 35.8 pt -102.2 -26.3 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.082 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.682 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.3 mp -96.46 16.32 18.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 72.43 110.938 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.89 -13.51 17.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.782 -0.723 . . . . 63.14 112.517 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.582 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -75.21 -31.92 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 70.21 111.154 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.661 HG23 HD12 ' A' ' 42' ' ' LEU . 2.4 t -137.83 -41.01 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 74.24 111.131 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.682 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.9 mp -74.69 160.24 81.39 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.608 0.718 . . . . 74.5 110.844 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 54.2 Cg_endo -69.73 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 74.34 112.375 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.63 -28.53 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 75.35 111.132 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -69.86 -33.74 72.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.927 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.402 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.54 -30.18 19.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 63.23 111.113 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.573 HD13 ' CB ' ' A' ' 35' ' ' ALA . 20.5 mt -62.19 -39.77 93.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.931 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.87 -24.73 52.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 73.24 111.121 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.67 -22.6 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 72.25 111.066 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.17 -29.58 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 45.12 111.056 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.17 -24.89 42.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 75.41 112.478 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.74 -73.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 41.51 111.138 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.07 -41.76 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 71.14 110.913 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.96 -174.44 43.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 75.44 112.479 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -54.67 -30.95 56.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 63.13 111.078 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' ALA . 10.3 t 36.81 44.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.04 111.143 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.63 57.68 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 71.11 111.078 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.728 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 62.33 111.135 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.3 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.819 0.343 . . . . 64.31 111.127 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -78.64 -3.94 46.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -109.22 -33.94 6.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.502 . . . . 61.05 110.93 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.707 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -71.13 -39.28 73.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 62.4 111.102 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.61 -21.75 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 60.34 111.077 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.73 -71.02 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 64.22 110.844 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -53.77 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 72.54 110.922 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -79.32 -71.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 70.41 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.24 66.14 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 73.31 112.511 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -71.58 142.53 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 73.11 111.123 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -75.9 68.5 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 74.01 110.839 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.464 HD13 ' H ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -61.23 148.41 41.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 71.42 110.892 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' H ' HD13 ' A' ' 12' ' ' LEU . . . -75.65 79.92 2.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 71.12 111.048 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -67.4 -21.6 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 51.03 111.12 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.02 -33.01 36.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 72.34 112.513 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.6 m -118.21 -34.52 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 74.13 111.177 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.647 ' HA ' HD12 ' A' ' 20' ' ' LEU . . . -56.53 -24.39 46.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 62.3 111.139 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -52.12 -48.15 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.898 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -25.31 61.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 54.24 110.844 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.716 HD13 HD13 ' A' ' 37' ' ' ILE . 32.0 mt -72.68 -45.45 58.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 75.1 110.909 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.423 ' HA ' HG22 ' A' ' 24' ' ' VAL . 6.6 mt -59.21 -19.65 47.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.912 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.45 13.23 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.01 110.858 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.7 -41.16 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 42.22 111.115 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.638 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 33.7 m -64.25 -33.38 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 65.23 111.106 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.82 -22.27 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.31 111.133 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -99.82 -28.58 13.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.882 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.23 78.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 43.2 112.494 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.638 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -72.03 83.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 72.24 111.137 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 p -128.34 12.02 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.891 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.585 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -61.2 144.04 54.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 54.45 110.924 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.42 -21.2 3.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 52.14 112.459 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -107.08 -41.72 5.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 64.1 111.164 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.585 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -74.55 -24.58 58.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.4 111.088 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -84.46 -26.45 28.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.21 110.879 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.3 -21.25 33.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 73.22 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.87 -5.73 58.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 55.54 111.09 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.716 HD13 HD13 ' A' ' 20' ' ' LEU . 13.4 pt -115.94 -26.25 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 70.14 111.12 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.632 ' HG ' HD22 ' A' ' 42' ' ' LEU . 8.5 mp -107.91 -12.75 15.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 71.14 110.896 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.49 6.09 80.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 54.45 112.44 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.3 -37.98 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 75.31 111.152 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.628 HG23 HD12 ' A' ' 42' ' ' LEU . 8.9 t -124.48 -36.76 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.5 111.175 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.632 HD22 ' HG ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -81.07 163.81 53.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 72.24 110.898 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.534 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.77 -179.52 2.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.626 2.217 . . . . 74.43 112.365 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.02 -43.46 11.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 73.13 111.077 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.0 p-90 -55.9 -31.49 62.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.945 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -52.37 -39.19 60.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 64.52 111.125 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.3 mt -69.04 -31.26 69.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 73.3 110.883 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.3 -26.07 51.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 63.14 111.133 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.61 -25.16 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 41.42 111.08 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.94 -25.28 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 72.55 111.075 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -78.28 -19.68 73.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 70.23 112.46 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.57 -65.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 73.22 111.12 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.3 mt -75.21 -41.88 56.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 45.12 110.964 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.99 174.96 20.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.74 . . . . 73.34 112.483 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.04 -25.61 61.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 65.15 111.075 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 6.1 p 51.55 29.08 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 73.12 111.135 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 56' ' ' THR . . . 66.67 35.97 4.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 64.3 111.09 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.707 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.01 111.081 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.7 mm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.817 0.341 . . . . 74.14 111.107 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.481 ' OH ' HD13 ' A' ' 21' ' ' LEU . 47.6 m-85 -78.74 -3.05 42.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 65.04 110.921 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -109.44 -33.16 6.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 75.43 110.959 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.8 mp -74.01 -37.63 47.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 73.3 111.193 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.66 -18.24 61.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 64.12 111.141 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -91.05 -60.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 71.33 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -62.97 -64.14 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 72.1 110.943 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.405 ' CD1' HG23 ' A' ' 4' ' ' ILE . 53.1 m-85 -77.09 -66.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 71.22 110.883 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.56 69.06 1.37 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 73.21 112.449 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -51.4 127.7 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 62.23 111.132 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -55.3 -43.8 75.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.816 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.504 HD12 ' H ' ' A' ' 13' ' ' ALA . 26.2 tp -51.83 149.63 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 73.03 110.959 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.504 ' H ' HD12 ' A' ' 12' ' ' LEU . . . -77.32 60.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.43 111.112 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -94.96 35.07 1.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 71.4 111.125 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.13 64.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 72.25 112.473 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.7 m -63.13 -20.61 65.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 62.42 111.121 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 37' ' ' ILE . . . -65.19 -24.13 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 71.44 111.102 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -52.24 -45.0 65.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 75.44 110.927 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -69.44 -23.57 63.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.32 110.876 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.6 ' O ' HG22 ' A' ' 24' ' ' VAL . 26.6 mt -80.12 -45.42 18.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.916 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD13 ' OH ' ' A' ' 2' ' ' TYR . 36.0 mt -65.95 -14.0 60.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 74.15 110.916 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -102.51 -3.05 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 62.02 110.877 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.66 -25.4 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.03 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 20' ' ' LEU . 28.5 m -77.47 -31.17 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 73.4 111.134 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.41 -23.47 38.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 44.22 111.146 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -73.41 -35.35 65.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 71.13 110.86 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 165.35 75.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.757 . . . . 73.13 112.483 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB3' ' CB ' ' A' ' 24' ' ' VAL . . . -151.52 118.75 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 52.14 111.081 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.9 m -89.09 49.32 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 53.35 110.848 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.745 HD11 ' HB3' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -53.73 145.11 16.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 71.24 110.889 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.21 -34.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 75.03 112.527 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -94.84 -23.61 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 63.42 111.144 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.745 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -92.39 -27.31 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 70.15 111.1 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -57.22 -25.69 59.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.881 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.75 -19.05 38.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.2 111.097 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.05 -9.51 59.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.065 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 17' ' ' ALA . 13.9 pt -109.55 -26.71 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 44.04 111.139 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.646 ' HG ' HD22 ' A' ' 42' ' ' LEU . 8.7 mp -107.81 -12.81 15.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 70.52 110.946 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.45 5.95 80.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 70.45 112.521 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.21 -37.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 61.02 111.103 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.626 HG23 HD12 ' A' ' 42' ' ' LEU . 8.5 t -124.42 -36.81 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.33 111.13 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.646 HD22 ' HG ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -81.05 163.77 53.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 74.32 110.895 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.76 -170.57 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.263 . . . . 71.14 112.326 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.01 -32.98 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 55.51 111.05 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -66.91 -28.59 68.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 71.21 110.94 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.6 -41.98 61.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 63.22 111.127 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.8 mt -52.33 -40.54 62.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.84 -24.5 38.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 54.24 111.154 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HA ' HD23 ' A' ' 53' ' ' LEU . . . -72.86 -21.63 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 72.54 111.11 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.53 -30.1 19.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 63.1 111.116 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.03 -78.24 0.15 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 22.1 112.484 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.688 ' O ' HD22 ' A' ' 53' ' ' LEU . . . -170.83 108.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 33.55 111.055 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.688 HD22 ' O ' ' A' ' 52' ' ' ALA . 4.1 mm? -133.38 -74.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 64.52 110.902 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -130.81 -98.13 0.78 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 65.13 112.51 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.6 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -72.89 77.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 40.32 111.097 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.2 t -93.0 -24.58 18.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.143 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.51 -8.87 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 71.12 111.098 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.696 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 51.3 111.06 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 43.9 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.854 0.359 . . . . 74.04 111.124 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -75.8 -7.14 53.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 73.03 110.92 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -109.22 -33.41 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 75.34 110.947 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.739 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -75.5 -34.22 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 62.25 111.146 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 13' ' ' ALA . . . -66.54 -18.25 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 41.24 111.086 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -91.98 -62.24 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 70.1 110.868 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.41 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 53.3 110.866 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -78.13 -70.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.91 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.19 81.92 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.76 -0.733 . . . . 43.42 112.454 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.621 HG22 ' CD2' ' A' ' 11' ' ' HIS . 5.4 mp -97.0 -72.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 62.33 111.144 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.621 ' CD2' HG22 ' A' ' 10' ' ' ILE . 19.3 m170 -116.36 -27.23 6.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.02 110.859 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -68.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 70.21 110.934 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB2' ' HB1' ' A' ' 5' ' ' ALA . . . -83.88 56.67 3.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 71.24 111.093 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.8 t -93.43 35.94 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 54.32 111.133 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.48 -42.47 2.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 64.21 112.498 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -68.13 -66.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 62.24 111.099 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.61 20.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 74.43 111.124 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -55.13 -42.7 73.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -75.05 -24.58 58.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.891 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.82 HD13 HD13 ' A' ' 37' ' ' ILE . 37.4 mt -75.9 -45.39 35.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 71.02 110.937 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.481 ' HA ' HG22 ' A' ' 24' ' ' VAL . 51.6 mt -59.16 -19.48 45.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 63.33 110.971 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -89.14 8.79 28.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 74.34 110.824 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.61 -46.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.24 111.101 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 21' ' ' LEU . 33.4 m -59.92 -33.79 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 63.21 111.158 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.0 -21.7 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.54 111.125 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 m -97.65 -20.65 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 70.15 110.883 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.75 -68.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 64.4 112.5 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . 57.66 66.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 72.2 111.086 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.0 t -155.0 24.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.864 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.68 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 54.42 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.27 -6.57 59.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 61.31 112.485 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.9 m -128.99 -42.06 1.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 53.24 111.154 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.9 -25.02 20.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.111 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -71.73 -39.96 69.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.926 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.54 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -73.37 -20.91 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.32 111.09 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.48 -19.76 41.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 54.44 111.103 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.82 HD13 HD13 ' A' ' 20' ' ' LEU . 15.2 pt -101.56 -21.4 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 70.13 111.096 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.682 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.0 mp -101.84 13.95 33.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.932 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.37 -14.06 19.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 72.31 112.535 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG13 HG22 ' A' ' 41' ' ' THR . 5.2 p -73.59 -30.82 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 72.24 111.122 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.646 HG23 HD12 ' A' ' 42' ' ' LEU . 2.7 t -140.59 -41.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 64.42 111.132 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.682 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.6 mp -72.31 160.36 82.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 73.24 110.879 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.62 2.213 . . . . 72.43 112.328 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.54 -26.2 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 60.13 111.092 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -71.27 -30.99 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.945 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.62 -28.51 21.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 70.23 111.146 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 35' ' ' ALA . 22.3 mt -64.24 -33.41 75.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 61.43 110.902 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.72 -25.98 34.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.078 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.17 -34.85 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 62.32 111.1 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.12 -29.46 21.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.01 111.151 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.37 -41.88 99.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 52.14 112.444 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.59 -69.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 63.21 111.104 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.6 tp -159.85 142.92 13.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 63.44 110.904 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.11 -115.72 0.38 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.815 -0.707 . . . . 61.45 112.522 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.32 110.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 74.22 111.1 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.3 p -80.48 57.02 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 52.11 111.122 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 66.88 23.2 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 42.02 111.092 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.739 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 63.44 111.075 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 45.3 mm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.87 0.367 . . . . 75.21 111.129 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -78.8 -5.62 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 72.44 110.926 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -107.17 -30.56 8.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 74.32 110.89 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -74.83 -34.04 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 60.21 111.086 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.76 -15.55 61.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 71.11 111.111 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -90.57 -73.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -51.74 -63.18 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.904 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -78.89 -70.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.915 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.57 85.11 0.95 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 73.42 112.518 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.32 63.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 74.03 111.122 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -150.72 105.25 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 62.41 110.88 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.76 18.98 20.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.904 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.691 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . -93.18 59.7 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 62.43 111.072 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -94.4 36.0 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 74.04 111.157 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -124.55 -45.46 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 54.31 112.491 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.1 m -117.7 -27.34 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 65.12 111.185 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -72.51 -25.2 61.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 63.24 111.116 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -55.88 -44.71 78.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 71.52 110.873 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -17.44 62.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 71.32 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 24' ' ' VAL . 25.7 mt -93.35 -47.93 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 73.25 110.904 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' HA ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -58.54 -28.85 65.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.935 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -87.5 7.11 30.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.858 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.47 -34.08 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 61.32 111.106 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 20' ' ' LEU . 21.8 m -72.77 -26.89 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 61.22 111.167 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.4 -9.7 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.092 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.3 t -114.85 -1.14 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 61.41 110.846 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.35 -59.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 75.5 112.481 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.62 55.25 4.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 75.3 111.08 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t -119.52 -30.99 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 75.51 110.89 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.47 146.91 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 61.21 110.891 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.8 -34.76 0.47 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 64.41 112.508 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -83.42 -50.21 8.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 74.25 111.111 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.32 61.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 65.2 111.073 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CD1' HD11 ' A' ' 37' ' ' ILE . 4.8 t80 -71.95 -29.85 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.03 110.866 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' HA ' HD21 ' A' ' 47' ' ' LEU . . . -80.37 -22.82 40.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 64.22 111.112 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.89 -13.77 59.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 62.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 34' ' ' PHE . 25.1 pt -106.59 -29.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 71.3 111.128 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.668 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -91.3 12.81 19.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 75.33 110.918 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.24 -14.37 18.66 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 63.24 112.487 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -74.48 -32.05 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.961 0.41 . . . . 74.13 111.138 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.639 HG23 HD12 ' A' ' 42' ' ' LEU . 2.9 t -137.67 -41.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 73.32 111.128 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.668 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.8 mp -73.69 160.47 82.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 65.41 110.907 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 71.41 112.382 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.34 -25.1 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.41 111.093 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -72.51 -29.06 63.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.92 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.73 -29.87 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 74.13 111.102 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 35' ' ' ALA . 9.9 mt -68.55 -42.95 77.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.12 110.898 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.91 -25.71 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.3 111.135 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.47 63.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 50.22 111.085 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.91 -27.13 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 60.11 111.076 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.32 -51.97 2.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 64.22 112.469 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.54 -55.57 33.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 61.44 111.112 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.3 tp -79.21 -54.83 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 65.23 110.933 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.15 -35.09 3.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.7 -0.762 . . . . 75.31 112.478 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 55.93 85.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 73.41 111.099 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 t -74.99 71.16 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 64.11 111.168 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.08 19.93 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.109 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.727 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.107 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.589 HG13 HD21 ' A' ' 42' ' ' LEU . 49.5 mm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.863 0.363 . . . . 73.41 111.144 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -66.61 -13.94 61.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 72.2 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -108.59 -35.1 6.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 70.04 110.88 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -73.73 -33.69 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 72.31 111.146 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.02 -19.09 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 63.4 111.11 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -90.38 -66.27 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 63.52 110.886 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -56.91 -62.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 54.53 110.939 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.429 ' HB3' HD11 ' A' ' 10' ' ' ILE . 53.3 m-85 -77.52 -70.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 64.42 110.894 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.35 86.03 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 52.04 112.453 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' A' ' 8' ' ' PHE . 4.0 mp -114.16 127.02 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.89 0.376 . . . . 73.31 111.121 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.0 m170 52.44 37.64 23.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 73.15 110.869 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.598 HD21 ' NH2' ' A' ' 18' ' ' ARG . 11.3 tp -53.55 129.4 32.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.937 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.54 ' N ' HD12 ' A' ' 12' ' ' LEU . . . -101.91 79.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 64.31 111.051 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 t -64.62 -15.33 61.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 63.11 111.186 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.02 -13.8 32.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 72.23 112.48 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 m -118.55 -68.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 73.43 111.124 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.37 -49.2 61.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 71.34 111.085 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.598 ' NH2' HD21 ' A' ' 12' ' ' LEU . 7.2 tpp85 -53.24 -48.52 68.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 64.24 110.859 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -70.2 -24.08 63.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 53.1 110.919 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.717 HD13 HD13 ' A' ' 37' ' ' ILE . 29.4 mt -76.18 -44.01 39.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.933 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.508 ' HA ' HG22 ' A' ' 24' ' ' VAL . 21.0 mt -59.59 -19.05 46.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 62.41 110.946 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -86.5 5.87 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 62.05 110.883 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.97 -48.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.42 111.088 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.676 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 22.5 m -59.02 -31.72 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 73.14 111.148 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.72 -17.68 56.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 70.11 111.054 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 p -97.77 -20.93 17.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 71.24 110.882 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.74 80.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 65.52 112.509 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.676 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -67.27 -78.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 71.01 111.117 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p 57.64 20.91 6.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.873 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.609 ' HG ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -78.65 145.83 34.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.963 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.49 -18.82 3.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 54.34 112.501 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.8 m -112.68 -41.43 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.52 111.133 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.609 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . . . -77.0 -24.46 52.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 15.01 111.102 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.626 ' CD1' HD11 ' A' ' 37' ' ' ILE . 2.5 t80 -80.26 -31.43 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.42 110.873 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -77.52 -25.06 49.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 62.24 111.121 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.62 -16.98 56.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 64.31 111.13 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.717 HD13 HD13 ' A' ' 20' ' ' LEU . 31.6 pt -102.44 -25.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 70.53 111.097 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.652 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.8 mp -98.26 16.5 21.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 70.15 110.936 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.77 -13.43 18.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 74.43 112.469 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.592 HG13 HG22 ' A' ' 41' ' ' THR . 5.1 p -74.68 -31.77 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 74.14 111.134 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.622 HG23 HD12 ' A' ' 42' ' ' LEU . 2.3 t -138.59 -41.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 63.11 111.155 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.652 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.9 mp -73.66 160.1 82.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.574 0.702 . . . . 63.12 110.959 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -170.63 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.265 . . . . 75.12 112.331 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.42 -27.14 11.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.08 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -70.99 -30.2 66.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.31 -26.8 31.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 51.33 111.106 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 35' ' ' ALA . 19.5 mt -66.69 -40.06 88.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 70.24 110.867 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.49 -25.83 41.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.145 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -25.44 62.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 54.44 111.066 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.88 -27.58 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 74.12 111.118 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.32 -31.12 34.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 54.42 112.525 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.14 -73.55 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 71.33 111.06 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.54 -68.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.938 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.95 -124.55 6.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 75.13 112.5 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -71.79 -33.62 68.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.857 0.361 . . . . 74.43 111.106 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' ALA . 10.1 t 36.68 44.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.41 111.163 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.44 58.11 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.2 111.132 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.759 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 55.24 111.078 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.498 ' CD1' HD11 ' A' ' 42' ' ' LEU . 41.7 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.823 0.344 . . . . 73.12 111.122 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -79.7 -2.49 43.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.95 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -110.82 -35.19 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 74.33 110.915 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.6 mp -70.99 -40.19 75.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 71.51 111.106 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.13 -19.85 55.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.15 111.092 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -87.02 -72.32 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.15 110.913 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -52.37 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 63.03 110.91 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -78.83 -70.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.859 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.11 83.08 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 61.44 112.453 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -83.54 139.7 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 62.13 111.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -75.83 70.93 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 54.2 110.857 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -113.75 21.18 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 63.31 110.909 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.83 71.13 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.01 111.084 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.603 HG23 ' H ' ' A' ' 16' ' ' THR . 10.0 t -52.13 -29.45 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 63.32 111.124 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 128.82 -19.92 5.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 74.54 112.492 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.603 ' H ' HG23 ' A' ' 14' ' ' THR . 91.7 m -109.87 -25.75 10.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.757 0.313 . . . . 54.31 111.114 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.6 77.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 34.03 111.086 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -58.17 -23.55 55.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.849 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -32.52 39.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.865 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.635 ' O ' HG22 ' A' ' 24' ' ' VAL . 24.9 mt -74.67 -37.66 62.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.914 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.79 -16.92 53.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.94 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -101.93 -1.89 30.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 75.01 110.895 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.66 -21.63 8.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.22 111.109 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 20' ' ' LEU . 18.6 m -83.46 -29.16 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.45 111.151 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.79 -23.38 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.33 111.134 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -87.73 -25.42 23.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.916 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.11 77.91 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 33.32 112.501 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.608 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -72.69 84.04 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 65.12 111.122 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -130.15 30.87 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.903 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.565 HD23 ' H ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -96.84 177.34 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.901 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.565 ' H ' HD23 ' A' ' 30' ' ' LEU . . . -137.84 -35.63 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 41.44 112.501 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.3 m -82.71 -66.76 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.762 0.315 . . . . 71.02 111.142 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.49 ' HB1' HD11 ' A' ' 20' ' ' LEU . . . -50.6 -35.81 31.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 74.43 111.104 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -73.57 -38.87 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.14 110.841 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.632 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -72.59 -21.28 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.135 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.89 -18.32 54.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 63.14 111.106 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.429 HG21 HD12 ' A' ' 20' ' ' LEU . 27.8 pt -106.14 -26.2 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 61.53 111.115 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.689 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.0 mp -97.79 15.92 22.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.917 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.24 -13.13 18.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 32.32 112.47 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.581 HG13 HG22 ' A' ' 41' ' ' THR . 5.1 p -76.3 -31.83 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 64.24 111.177 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.658 HG23 HD12 ' A' ' 42' ' ' LEU . 2.5 t -138.04 -41.18 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 61.12 111.128 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.689 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.5 mp -74.11 160.23 82.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.704 . . . . 53.21 110.91 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -171.02 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.277 . . . . 74.32 112.38 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.12 -29.67 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 45.23 111.079 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -67.82 -33.88 75.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 71.52 110.889 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.04 -25.97 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 70.22 111.09 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 35' ' ' ALA . 18.3 mt -68.13 -35.37 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 72.52 110.898 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.77 -26.23 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 53.12 111.133 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.41 -24.94 34.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 72.14 111.147 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.51 -25.26 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 52.44 111.104 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.42 -55.86 20.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 52.22 112.475 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.66 -57.66 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 70.35 111.084 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.8 mt -150.91 120.33 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.34 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.59 -111.8 1.76 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 61.23 112.513 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 102.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 64.23 111.104 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -77.07 62.2 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 72.52 111.117 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.3 23.47 13.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 41.02 111.104 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.716 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.125 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 40.6 mm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.89 0.376 . . . . 63.11 111.149 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -78.77 -3.46 44.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.935 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -111.17 -37.75 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 62.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.725 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.8 mp -69.5 -32.78 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 63.03 111.124 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.65 -17.76 65.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.12 111.116 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.98 -71.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.855 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -53.09 -62.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.893 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.58 -70.75 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 65.2 110.919 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.7 47.66 7.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 31.5 112.47 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.12 -73.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 71.24 111.161 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.13 63.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 44.22 110.833 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -66.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 65.2 110.91 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.68 72.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 72.35 111.085 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 t -102.41 31.07 4.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 71.22 111.182 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.24 -45.46 1.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 60.05 112.518 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -124.38 -44.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 71.4 111.106 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.44 -28.79 56.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 64.44 111.153 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -53.09 61.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 72.1 110.865 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -56.75 -31.99 65.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.832 HD13 HD13 ' A' ' 37' ' ' ILE . 25.7 mt -73.42 -50.17 23.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.95 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.414 ' HA ' HG22 ' A' ' 24' ' ' VAL . 49.6 mt -59.28 -21.38 59.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 52.12 110.9 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -90.96 10.83 24.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.839 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.62 -40.3 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 43.44 111.074 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.682 HG12 HD23 ' A' ' 30' ' ' LEU . 16.4 m -64.56 -26.9 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 44.33 111.129 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.39 -7.19 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 35.15 111.11 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -111.77 -22.59 11.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 54.33 110.896 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.18 -51.14 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.674 -0.774 . . . . 55.13 112.443 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.98 45.8 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 62.34 111.07 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -113.75 24.3 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 55.31 110.911 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' A' ' 33' ' ' ALA . 1.4 mm? -63.62 -179.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 51.13 110.898 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 157.96 -22.16 0.38 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.705 -0.76 . . . . 71.35 112.423 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.1 m -115.78 -29.84 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 74.41 111.186 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.805 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -94.09 -24.53 17.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 53.24 111.093 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.495 ' CD1' HD11 ' A' ' 37' ' ' ILE . 4.8 t80 -70.42 -30.78 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.855 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.645 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -78.05 -24.18 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 62.21 111.074 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.93 -15.81 56.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 63.02 111.107 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.832 HD13 HD13 ' A' ' 20' ' ' LEU . 32.4 pt -103.28 -28.16 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.43 111.077 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.665 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.5 mp -93.79 14.79 18.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 52.02 110.898 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.21 -13.74 18.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 40.53 112.499 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.599 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -74.85 -31.86 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 62.21 111.121 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.65 HG23 HD12 ' A' ' 42' ' ' LEU . 2.2 t -138.17 -41.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.148 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.665 HD22 ' CD2' ' A' ' 38' ' ' LEU . 1.9 mp -73.94 160.35 82.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.622 0.725 . . . . 74.22 110.902 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 71.04 112.346 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.62 -28.95 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 71.05 111.077 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 56.4 p-90 -68.47 -32.35 72.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 73.22 110.896 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.52 -26.76 33.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 61.4 111.117 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.645 HD13 ' CB ' ' A' ' 35' ' ' ALA . 13.8 mt -69.35 -35.13 75.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.911 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.95 -26.36 60.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 74.25 111.1 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.85 -27.22 22.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 72.13 111.126 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.71 -28.51 56.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 31.23 111.088 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.07 -46.55 91.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 74.3 112.525 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.86 87.99 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 72.14 111.104 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 53' ' ' LEU . 2.1 pt? -127.61 152.49 47.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.902 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -110.7 58.17 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 50.33 112.513 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' THR . . . -60.11 -33.72 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 51.15 111.046 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ALA . 9.4 t 36.85 44.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 65.52 111.124 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.62 57.86 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 53.32 111.093 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.725 ' O ' HD12 ' A' ' 4' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 74.44 111.084 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 39.8 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.875 0.369 . . . . 74.44 111.136 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -78.25 -3.42 42.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.911 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -107.72 -33.2 7.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 75.44 110.925 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.9 mp -73.4 -38.18 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 74.25 111.151 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HB1' HD13 ' A' ' 12' ' ' LEU . . . -60.08 -19.77 54.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 62.12 111.125 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.56 -70.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 52.34 110.872 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -53.85 -63.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 62.45 110.891 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -78.88 -71.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 73.41 110.868 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.44 27.83 60.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 60.12 112.488 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.89 126.47 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 61.03 111.12 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.1 m170 53.25 47.23 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.873 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.444 HD13 ' HB1' ' A' ' 5' ' ' ALA . 33.1 tp -81.56 -74.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.901 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.07 66.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.109 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 t -76.84 -4.53 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 60.2 111.17 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.92 -27.98 60.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 75.43 112.467 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -117.27 -20.51 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 72.04 111.129 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.59 -16.26 37.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 72.04 111.092 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -54.77 -31.63 59.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 62.34 110.864 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -39.16 33.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 63.04 110.902 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.835 HD13 HD13 ' A' ' 37' ' ' ILE . 29.5 mt -68.13 -42.07 80.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 73.14 110.921 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.474 ' HA ' HG22 ' A' ' 24' ' ' VAL . 42.1 mt -59.21 -19.43 45.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 44.35 110.956 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -89.06 9.17 26.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.88 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.4 -46.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 61.24 111.102 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 33.3 m -60.06 -33.13 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 53.21 111.162 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -22.0 49.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 65.3 111.06 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 m -108.68 8.62 27.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 71.4 110.871 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.84 88.58 0.48 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 74.22 112.504 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.512 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -63.69 -78.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 73.25 111.103 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p 56.93 22.2 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 53.22 110.866 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -73.47 -174.33 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.907 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.62 -33.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 71.05 112.487 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.2 m -106.69 -27.61 10.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 42.44 111.146 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.91 -34.86 19.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 55.21 111.136 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -65.29 -37.56 87.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 65.32 110.874 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.548 ' HB2' HD13 ' A' ' 47' ' ' LEU . . . -75.95 -24.75 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.52 111.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.71 -17.01 58.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 72.43 111.083 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.835 HD13 HD13 ' A' ' 20' ' ' LEU . 17.8 pt -104.44 -21.78 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 74.45 111.132 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.633 ' HG ' HD22 ' A' ' 42' ' ' LEU . 5.2 mp -107.01 16.99 23.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 62.54 110.957 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.55 -13.82 17.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 75.34 112.519 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.596 HG13 HG22 ' A' ' 41' ' ' THR . 5.0 p -73.33 -31.16 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 74.43 111.154 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.68 HG23 HD12 ' A' ' 42' ' ' LEU . 2.5 t -139.54 -41.2 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 74.31 111.195 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.68 HD12 HG23 ' A' ' 41' ' ' THR . 2.1 mp -74.34 160.18 81.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 70.25 110.934 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 53.7 Cg_endo -69.76 -170.58 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 71.14 112.332 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.26 -28.26 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 63.32 111.115 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.9 p-90 -69.91 -27.84 65.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 75.55 110.87 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . . . -51.77 -29.53 19.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 72.0 111.128 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 35' ' ' ALA . 23.8 mt -62.36 -39.18 92.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 54.1 110.925 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.92 -25.14 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 71.32 111.099 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.47 -22.72 35.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 65.41 111.106 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.36 -23.33 43.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 51.11 111.081 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.12 -33.58 37.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 71.25 112.507 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.43 126.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 75.43 111.067 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 mt -157.56 178.07 10.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 64.4 110.925 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.54 22.91 25.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 75.3 112.519 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.802 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -118.81 96.85 5.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 41.13 111.095 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.8 p -98.45 -28.55 13.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 65.44 111.187 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -118.21 -16.24 9.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.087 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.802 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 75.12 111.095 179.94 . . . . . . . . 1 1 . 1 stop_ save_